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• 1 Dimerization of Alkynes and Alkenes 1.1 Markovnikov Dimerization of Terminal Alkynes 1.2 anti-Markovnikov Dimerization of Terminal Alkynes 1.3 Dimerization of Terminal Alkenes 1.4 Cross-Dimerization of Alkynes with Alkenes
• 2 Multicomponent Cycloaddition Reactions of Unsaturated Hydrocarbons 2.1 Multicomponent Click Reactions 2.2 Multicomponent Diels-Alder Reactions 2.3 Multicomponent Cycloaddition Reactions in Natural Product Synthesis 2.4 Multicomponent Cycloaddition Reactions in Organic Material Synthesis
• 3 Addition of C(sp) - H Bond to Unsaturated Compounds 3.1 Addition of Terminal Alkynes to Carbonyl Compounds 3.2 Addition of Terminal Alkynes to Alkenes 3.3 Addition of Terminal Alkynes to Nitriles 3.4 Addition of Terminal Alkynes to Epoxides 3.5 Addition of Terminal Alkynes to Imines 3.6 Addition of Terminal Alkynes to Other Unsaturated Compounds
• 4 Functionalized Alkenes from Hydrofunctionalization of Alkynes 4.1 Hydrocarbonation of Alkynes 4.2 Hydroborations of Alkynes 4.3 Hydrosilylation of Alkynes 4.4 Hydrostannylation of Alkynes 4.5 Hydroamination of Alkynes 4.6 Hydrophosphination, Hydrophosphinylation, Hydrophosphonylation of Alkynes 4.7 Hydrosulfurization of Alkynes 4.8 Addition of O-Nucleophiles to Alkynes
• 5 Hydrofunctionalization of Alkenes 5.1 Hydroborations of Alkenes 5.2 Hydrosilylation of Alkenes 5.3 Hydrostannylation of Alkenes 5.4 Hydroamination of Alkenes 5.5 Hydrophosphination, Hydrophosphinylation, Hydrophosphonylation of Alkenes 5.6 Hydrosulfurization of Alkenes 5.7 Addition of O-Nucleophiles to Alkenes
• 6 Double Functionalization of Alkynes and Alkenes by Addition Reaction of Element-Element Bond 6.1 Addition Reaction of Main-Group 3 Element-Element Bond 6.2 Addition Reaction of Main-Group 4 Element-Element Bond 6.3 Addition Reaction of Main-Group 5 Element-Element Bond 6.4 Addition Reaction of Main-Group 6 Element-Element Bond 6.5 Addition Reaction of Heteronuclear Element-Element Bond
• 7 Double Functionalization of Alkynes by Addition of Carbon-Element Bond 7.1 Addition Reaction of Carbon-Silicon Bond 7.2 Addition Reaction of Carbon-Tin Bond 7.3 Addition Reaction of Carbon-Sulfur Bond 7.4 Addition Reaction of Carbon-Selenium Bond 7.5 Addition Reaction of Carbon-Halogen Bond 7.6 Other Double Functionalization Reaction of Alkynes
• 8 Carbocycles from Cycloaddition of Alkynes and Alkenes 8.1 Four-Membered Carbocycles 8.2 Six-Membered Carbocycles 8.3 Addition of Aromatic C-H Bond to Alkynes 8.4 Addition of Olefinic C-H Bond to Alkynes
• 9 Heterocycles from Cycloaddition of Alkynes 9.1 Four-Membered Heterocycles 9.2 Five-Membered Heterocycles 9.3 Six-Membered Heterocycles 9.4 Other Heterocycles 9.5 Heterocycles from Intramolecular Cycloaddition
• 10 Carbonyl Compounds from Alkynes and Alkenes 10.1 Hydrolysis of Alkynes 10.2 Hydroformylation of Alkynes and Alkenes 10.3 Hydroacylation of Alkynes and Alkenes 10.4 Hydroamidation of Alkynes and Alkenes 10.5 Hydrocarboxylation of Alkynes and Alkenes 10.6 Cyclocarbonylation of Alkynes and Alkenes.
• (source: Nielsen Book Data)

• Chapter 1. Dimerization of Alkynes and Alkenes 1.1 Markovnikov Dimerization of Terminal Alkynes 1.2 anti-Markovnikov (head-to-head) Dimerization of Terminal Alkynes 1.3 Dimerization and Cross-dimerization of Terminal Alkenes 1.4 Cross-Dimerization of Different Alkynes or Alkynes with Alkenes
• Chapter 2. Addition of C(sp)-H Bonds to Unsaturated Compounds 2.1 Addition of Terminal Alkynes to Carbonyl Compounds 2.2 Addition of Terminal Alkynes to Alkenes 2.3 Addition of Terminal Alkynes to Imines 2.4 Addition of Terminal Alkynes to Other Compounds
• Chapter 3. Functionalized Alkenes from Hydrofunctionalization of Alkynes 3.1 Hydroborations of Alkynes 3.2 Hydrosilylation of Alkynes 3.3 Hydrostannation of Alkynes 3.4 Hydroamination of Alkynes 3.4.1 Hydroamination of alkynes with primary amines 3.4.2 Hydroamination of alkynes with secondary amines 3.4.3 Cyclohydroamination of alkynes 3.4.4 Aminocarbonylation of alkynes 3.5 Hydrophosphination of Alkynes and Related H-P(O) Addition 3.5.1 Hydrophosphination of Alkynes 3.5.2 Addition of PV(O)-H bond to alkynes 3.6 Hydrothiolation of Alkynes 3.6.1 Markovnikov hydrothiolation of alkynes 3.6.2 anti-Markovnikov hydrothiolation of alkynes 3.7 Addition of O-Nucleophiles to Alkynes 3.7.1 Addition of alcohols and phenols to alkynes 3.7.2 Addition of acids to alkynes
• Chapter 4. Hydrofunctionalization of Carbon-Carbon Double Bonds 4.1 Hydroboration of Alkenes 4.1.1 Markovnikov hydroboration of alkenes 4.1.2 anti-Markovnikov hydroboration of alkenes 4.1.3 Hydroboration of allenes and 1,3-dienes 4.1.4 Asymmetric hydroboration of alkenes 4.2 Hydrosilylation of Carbon-Carbon Double Bonds 4.2.1 Markovnikov and anti-Markovnikov hydrosilylation of alkenes 4.2.2 Hydrosilylation of allenes 4.2.3 Hydrosilylation of 1,3-dienes 4.2.4 Asymmetric hydrosilylation of alkenes 4.3 Hydrostannation of Carbon-Carbon Double Bonds 4.4 Hydroamination of Carbon-Carbon Double Bonds 4.4.1 Markovnikov hydroamination of alkenes 4.4.2 anti-Markovnikov hydroamination of alkenes 4.4.3 Hydroamination of allenes and 1,3-dienes 4.4.4 Asymmetric hydroamination of alkenes 4.4.5 Nitrogen-heterocycles from intramolecular hydroamination of alkenes 4.5 Hydrophosphination of Alkenes and Related PV(O)-H Addition 4.6 Hydrothiolation of Carbon-Carbon Double Bonds 4.7 Addition of O-Nucleophiles to Alkenes
• Chapter 5. Double Functionalization of Alkynes and Alkenes by Addition of Element-Element Bonds 5.1 Addition Reaction of Group 13 Element-Element Bonds 5.1.1 cis-Addition reactions to alkynes 5.1.2 trans-Addition reactions to alkynes 5.1.3 Addition reactions to alkenes 5.1.4 Synthesis of 1,1-diborylalkanes/alkenes via addition of B-B bond 5.2 Addition Reaction of Group 14 Element-Element Bonds 5.3 Addition Reaction of Group 15 Element-Element Bond 5.4 Addition Reactions of Group 16 Element-Element Bond 5.4.1 cis-Addition reactions to alkynes 5.4.2 trans-Addition reactions to alkynes 5.4.3 Different heteroatom bond addition reactions to alkynes 5.4.4 Addition reactions to alkenes 5.5 Addition Reactions of Element-Element Bonds from Different Group Heteroatoms 5.5.1 cis-Addition reactions to alkynes 5.5.2 trans-Addition reactions to alkynes 5.5.3 Addition reactions to alkenes
• Chapter 6. Double Functionalization of Alkynes by Addition of Carbon-Element Bonds 6.1 Addition Reactions of Carbon-Group 13 Bonds 6.2 Addition Reactions of Carbon-Group 14 Bonds 6.2.1 Addition reactions of carbon-silicon bonds 6.2.2 Addition reactions of carbon-germanium bonds 6.2.3 Addition reactions of carbon-tin bonds 6.3 Addition Reactions of Carbon-Group 15 Bonds 6.4 Addition Reactions of Carbon-Group 16 Bonds 6.4.1 Addition reactions of carbon-oxygen bonds 6.4.2 Addition reaction of carbon-sulfur bonds 6.4.3 Addition reactions of carbon-selenium bonds 6.5Addition Reactions of Carbon-Halogen Bonds to Alkynes 6.5.1 C(sp3)-X activation and its addition reactions 6.5.2 C(sp2)-X activation and its addition reactions 6.5.3 C(sp)-X activation and its addition reactions 6.6 Addition Reactions of Carbon-Carbon Single Bonds 6.6.1 Addition reactions of strained C-C bonds 6.6.2 Addition reactions of C-CN bonds 6.6.3 Other carbon-carbon bond cleavage and their addition reactions
• Chapter 7. Carbocycles from Annulation of Alkynes and Alkenes 7.1 Four-Membered Carbocycles 7.1.1 Construction of cyclobutenes 7.1.2 Construction of cyclobutanes 7.2 Five-Membered Carbocycles 7.2.1 Five-membered carbocycles by [2+2+1] cycloaddition 7.2.2 Five-membered carbocycles by [3+2] cycloaddition 7.2.3 Intramolecular cycloaddition of active sp3 C-H to carbon-carbon unsaturated bonds 7.2.4 Five-membered carbocycles from intramolecular cycloaddition of unsaturated bond 7.3 Six-Membered Carbocycles 7.3.1 Benzene ring formation 7.3.2 Naphthalene and polyaromatic hydrocarbon (PAHs) ring formation 7.3.3 1,3-Cyclohexadiene ring formation via cycloaddition of alkynes 7.4 Seven-Membered Carbocycles 7.5 Eight and Higher-Membered Carbocycles
• Chapter 8. Heterocycles from Cycloaddition of Alkynes 8.1 Four-Membered Heterocycles 8.2 Five-Membered Heterocycles 8.2.1 Pyrroles, furans and thiophenes synthesis 8.2.2 Indoles, benzo[b]furans, benzo[b]thiophenes and benzo[b]selenophenes 8.2.3 Five-membered rings with two heteroatoms 8.3 Six-Membered Heterocycles 8.3.1 Pyridine derivatives via cycloaddition of alkynes with nitriles 8.3.2 Benzopyridine derivatives (quinolines and isoquinolines) 8.3.3 2-Pyridone derivatives and their benzo-derivatives (quinolinones and isoquinolonones) 8.3.4 Six-membered N-heterocycles having two nitrogen atoms 8.3.5 2-Pyrone, coumarin, isocoumarin and chromone derivatives 8.4 Other Heterocycles
• Chapter 9. Carbonyl Compounds from Alkynes and Alkenes 9.1 Hydration of Alkynes 9.2 Hydroformylation of Alkynes and Alkenes 9.3 Hydroacylation of Alkynes and Alkenes 9.4 Hydroamidation of Alkynes and Alkenes 9.5 Hydrocarboxylation of Alkynes and Alkenes 9.6 Hydroesterification of Alkynes and Alkenes 9.7 Carbonylation of Alkynes and Alkenes
• Chapter 10. Natural Product Synthesis via Alkyne Transformation 10.1 Hydrofunctionalization of Alkynes in Natural Product Synthesis 10.2 Double Functionalization of Alkynes in Natural Product Synthesis 10.3 Cycloaddition of Alkynes in Natural Product Synthesis 10.4 Carbonylation of Alkynes in Natural Product Synthesis.
• (source: Nielsen Book Data)

Addition Reactions with Unsaturated Hydrocarbons Provides comprehensive coverage of the atom-economic approach to functionalized molecules using unsaturated hydrocarbons as starting materials Unsaturated hydrocarbons have emerged as an important class of fundamental starting materials in organic synthesis. Synthetic methodologies incorporating unsaturated hydrocarbons continue to expand due to their numerous applications in the synthesis of a vast array of chemicals. Addition Reactions with Unsaturated Hydrocarbons presents an up-to-date overview of modern methods that utilize reactions of unsaturated hydrocarbons as building blocks of organic synthesis, covering the conceptual and practical knowledge required for designing atom-efficient reactions to synthesize functionalized molecules. This authoritative volume discusses homo-dimerization and cross-dimerization of alkynes and/or alkenes, synthesis of carbonyl compounds from the hydration of alkynes, cycloadditions of alkynes and alkenes for the synthesis of carbocycles and heterocycles, double functionalization of alkynes and alkenes by addition reactions of element-element bonds, and more. Summarizes the most recent developments in the reactions of unsaturated hydrocarbons Features more than 600 schemes describing typical reactions starting from unsaturated hydrocarbons Covers topics such as alkynylated reactions, addition and cycloaddition reactions of alkynes and alkenes, and carbonylation of alkynes and alkenes with carbon monoxide Includes examples of synthesis procedures of natural products involving alkyne transformation With comprehensive coverage of important reactions of unsaturated hydrocarbons, Addition Reactions with Unsaturated Hydrocarbons is a valuable resource for organic chemists, pharmaceutical chemists, and biochemists in both academia and industry as well as an excellent reference text for graduate students in relevant areas of chemistry.
(source: Nielsen Book Data)

• Short history of thermoelectric conjugated PEDOT development PEDOT preparation, morphology, and electronic structure Thermoelectric properties of PEDOTs Thermoelectric transport and PEDOT dependence Optimizing the thermoelectric performance of PEDOTs Thermoelectric PEDOTs: Derivatives, analogues, and copolymers PEDOT-based thermoelectric nanocomposites/hybrids Thermoelectric PEDOT measurement techniques Flexible and wearable thermoelectric PEDOT devices Challenges and perspectives.
• (source: Nielsen Book Data)

PEDOT is currently the most widely used polymeric material in research and development. Over the past 10 years, PEDOT has been investigated for potential organic thermoelectric applications because of its superior thermoelectric and mechanical properties compared with other conductive polymers. However, many challenges remain to be solved before it is translated into key technologies. Advanced PEDOT Thermoelectric Materials summarizes current progress and the challenges of PEDOT thermoelectric materials, while clarifying directions for future development. This book provides a comprehensive overview of chemical, physical, and technical information about this organic thermoelectric polymer. The authors also give details about the theoretical basis of PEDOT, including preparation and characterization, and its development as a high-performance thermoelectric material.
(source: Nielsen Book Data)

• Les origines de l'alchimie
• Les alchimistes
• Les alchimistes gréco-égyptiens
• Les alchimistes arabes
• Les alchimistes occidentaux du XIIe au XVe siècle
• Alchimistes des XVIe et XVIIe siècles
• Le grand-œuvre
• Les astres
• Le Soleil
• La Lune
• Les planètes
• Saturne
• Jupiter
• Mars
• Vénus
• Mercure
• Astres et processus alchimique
• Les éléments
• Le feu et la lumière
• L'eau
• L'air et la nuée
• La terre et la cendre
• Substances, minerais et alchimie
• La "materia prima"
• Le mercure
• Le soufre
• Le sel
• L'or
• L'argent
• Le plomb
• Le cuivre
• Le fer
• L'étain
• Symboles alchimiques
• La maison et les pierres
• Les couleurs
• Le chiffre sept
• La musique
• L'huile
• La graine, la semence
• L'œuf
• Le vase
• La tête
• Le roi
• L'arbre
• Adam
• Les animaux
• L'aigle
• Le pélican
• Le paon
• Le corbeau
• La colombe
• Le coq
• Le dragon
• Le serpent et l'ouroboros
• Le crapaud
• Le lion
• Alchimie, lame du monde tombée dans la matière.

"Si l'alchimie ne saurait être une science permettant, grâce à quelques recettes, de fabriquer de l'or, c'est véritablement un art sacré. L'adepte qui s'y livre vit une relation de type mystique avec la matière. Il y perçoit la trace du Créateur à travers la mise en évidence d'une présence immatérielle, germe de l'unité, caché dans le chaos. Pour l'alchimiste, l'Œuvre est à la fois travail intérieur, chemin spirituel tortueux vers l'unité et travail extérieur, symbolisé par l'activité en laboratoire qui peut prendre toute forme. La base du processus alchimique où lumière et ténèbres sont complémentaires, est l'union des contraires. La matière est considérée comme un substrat passif qui renferme une puissance agissante, l'âme, miroir du divin, qui sollicite la participation de l'alchimiste au dessein du Créateur. Cet ouvrage se base sur les écrits des anciens alchimistes, de la Perse et de l'Égypte antique au Moyen-Âge musulman et chrétien. Le processus du Grand Œuvre y est décrit, ainsi que les principes mis en avant dans les écrits : les astres, les quatre éléments, les substances matérielles et les symboles. Une grande place est donnée à l'âme considérée comme une force vitale endormie dans la matière et grâce à ce subtil intermédiaire, l'union des opposés que sont l'esprit et la matière est rendue possible. La totalité, symbiose de l'esprit, de l'âme et du corps, donne alors accès à la Pierre philosophale."--Page 4 of cover.

• Principle, general features and scope of the reaction, recent advances, future prospects.- Structures, stability, and safety of diazonium salts.- Kinetics and mechanisms of aryldiazonium ions in aqueous solutions.- Iodonium salts as reagents for surface modification: from preparation to reactivity in surface-assisted transformations.- Control of the aryl layer growth.- Grafting of aryl radicals onto surfaces - a DFT study.- Modification of sp(2) carbon allotropes with diazonium salts - Focus on carbon nanotubes functionalization.- Covalent modification of graphite and graphene using diazonium chemistry.- Aryldiazonium Tetrachloroaurate(III) Salts: Synthesis, Structure, and Fundamental Applications.- Modification and uses of synthetic and biobased polymeric materials.- Surface modification of plasmonic nanomaterials with aryl diazonium salts.- Diazonium electroreduction and molecular electronics.- Modification of surfaces with calix[4]arene diazonium salts.- Diazonium salts and related compounds for biomedical applications.- On the use of diazonium salts in the design of catalytic hybrid materials and coatings.- Aryldiazonium Salts as Photoinitiators for Cationic and Free Radical Polymerizations.- Polymer surface science and adhesion using diazonium chemistry.- Diazonium-modification of plasmonic surfaces formed by laser ablation.- Diazonium salts and the related compounds for the design of biosensors.- Reinforced polymers: the emerging role of diazonium modification of fillers.- Diazonium salts for the preparation of carbon composites with a focus on applications of carbon fibers.- Diazonium salts and related compounds in electrochemical energy storage and conversion.- Recent patents and industrial applications.
• (source: Nielsen Book Data)

This volume provides the latest developments in the field of surface science and technology based on diazonium coupling agents as well as their precursors (e.g. aromatic amines). It presents new concepts of surface chemistry of diazonium salts and discusses their novel and challenging applications. The latest advances on surface modification with diazonium salts are discussed and various promising alternative surface modifiers such as iodonium salts are examined. This book demonstrates the universality of diazonium salts in the surface treatment of classical and emergent materials and it will be a great tool for researcher and graduates working in this field.
(source: Nielsen Book Data)

• Part I 1 1 Introduction to Atomic Scale Electrochemistry 3Marko M. Melander, Tomi Laurila, and Kari Laasonen 1.1 Background 3 1.2 The thermodynamics of electrified interface 4 1.2.1 Electrode 6 1.2.2 Electrical double layer 7 1.2.3 Solvation sheets 8 1.2.4 Electrode potential 8 1.3 Chemical interactions between the electrode and redox species 12 1.4 Reaction kinetics at electrochemical interfaces 13 1.4.1 Outer and inner sphere reactions 13 1.4.2 Computational aspects 16 1.4.3 Challenges 17 1.5 Charge transport 18 1.6 Mass transport to the electrode 18 1.7 Summary 19 References 20 Part II 25 2 Retrospective and Prospective Views of Electrochemical Electron Transfer Processes: Theory and Computations 27Renat R. Nazmutdinov and Jens Ulstrup 2.1 Introduction
• interfacial molecular electrochemistry in recent retrospective 27 2.1.1 An electrochemical renaissance 27 2.1.2 A bioelectrochemical renaissance 27 2.2 Analytical theory of molecular electrochemical ET processes 28 2.2.1 A Reference to molecular ET processes in homogeneous solution 28 2.2.2 Brief discussion of contemporary computational approaches 30 2.2.3 Molecular electrochemical ET processes and general chemical rate theory 31 2.2.4 Some electrochemical ET systems at metal electrodes 35 2.2.4.1 Some outer sphere electrochemical ET processes 35 2.2.4.2 Dissociative ET: the electrochemical peroxodisulfate reduction 38 2.2.5 d-band, cation, and spin catalysis 39 2.2.6 New solvent environments in simple electrochemical ET processes
• ionic liquids 40 2.2.7 Proton transfer, proton conductivity, and proton coupled electron transfer (PCET) 40 2.2.7.1 Some further notes on the nature of PT/PCET processes 44 2.2.7.2 The electrochemical hydrogen evolution reaction, and the Tafel plot on mercury 44 2.3 Ballistic and stochastic (Kramers-Zusman) chemical rate theory 45 2.4 Early and recent views on chemical and electrochemical long-range ET 50 2.5 Molecular-scale electrochemical science 53 2.5.1 Electrochemical in situ STM and AFM 53 2.5.2 Nanoscale mapping of novel electrochemical surfaces 54 2.5.2.1 Self-assembled molecular monolayers (SAMs) of functionalized thiol [192-194] 54 2.5.3 Electrochemical single-molecule ET and conductivity of complex molecules 56 2.5.4 Selected cases of in situ STM and STS of organic and inorganic redox molecules 58 2.5.4.1 The viologens 58 2.5.4.2 Transition metal complexes as single-molecule in operando STM targets 59 2.5.5 Other single-entity nanoscale electrochemistry 61 2.5.5.1 Electrochemistry in low-dimensional carbon confinement 61 2.5.5.2 Electrochemistry of nano- and molecular-scale metallic nanoparticles 62 2.5.6 Elements of nanoscale and single-molecule bioelectrochemistry 63 2.5.6.1 A single-molecule electrochemical metalloprotein target
• P. aeruginosa azurin 63 2.5.6.2 Electrochemical SPMs of metalloenzymes, and some other "puzzles" 65 2.6 Computational approaches to electrochemical surfaces and processes revisited 67 2.6.1 Theoretical methodologies and microscopic structure of electrochemical interfaces 67 2.6.2 The electrochemical process revisited 68 2.7 Quantum and computational electrochemistry in retrospect and prospect 69 2.7.1 Prospective conceptual challenges in quantum and computational electrochemistry 70 2.7.2 Prospective interfacial electrochemical target phenomena 71 2.7.2.1 Some conceptual, theoretical, and experimental notions and challenges 71 2.7.2.2 Non-traditional electrode surfaces and single-entity structure and function 71 2.7.2.3 Semiconductor and semimetal electrodes 72 2.7.2.4 Metal deposition and dissolution processes 72 2.7.2.5 Chiral surfaces and ET processes of chiral molecules 72 2.7.2.6 ET reactions involving hot electrons (femto-electrochemistry) 73 2.8 A few concluding remarks 73 Acknowledgement 74 References 74 Part III 93 3 Continuum Embedding Models for Electrolyte Solutions in First-Principles Simulations of Electrochemistry 95Oliviero Andreussi, Francesco Nattino, and Nicolas Georg Hörmann 3.1 Introduction to continuum models for electrochemistry 95 3.2 Continuum models of liquid solutions 97 3.2.1 Continuum interfaces 98 3.2.2 Beyond local interfaces 103 3.2.3 Electrostatic interaction: polarizable dielectric embedding 105 3.2.4 Beyond electrostatic interactions 107 3.3 Continuum diffuse-layer models 109 3.3.1 Continuum models of electrolytes 109 3.3.2 Helmholtz double-layer model 110 3.3.3 Poisson-Boltzmann model 111 3.3.4 Size-modified Poisson-Boltzmann model 113 3.3.5 Stern layer and additional interactions 114 3.3.6 Performance of the diffuse-layer models 114 3.4 Grand canonical simulations of electrochemical systems 118 3.4.1 Thermodynamics of interfaces 119 3.4.2 Ab-initio based thermodynamics of electrochemical interfaces 121 3.4.3 Grand canonical simulations and the CHE approximation 123 3.5 Selected applications 126 Acknowledgments 129 References 129 4 Joint and grand-canonical density-functional theory 139Ravishankar Sundararaman and Tomás A. Arias 4.1 Introduction 139 4.2 JDFT variational theorem and framework 142 4.2.1 Variational principle and underlying theorem 142 4.2.2 Separation of effects and regrouping of terms 146 4.2.3 Practical functionals and universal form for coupling 147 4.3 Classical DFT with atomic-scale structure 148 4.3.1 Ideal gas functionals with molecular geometry 149 4.3.1.1 Effective ideal gas potentials 149 4.3.1.2 Integration over molecular orientations 150 4.3.1.3 Auxiliary fields 151 4.3.2 Minimal excess functionals for molecular fluids 152 4.4 Continuum solvation models from JDFT 157 4.4.1 JDFT linear response: nonlocal 'SaLSA' solvation 158 4.4.2 JDFT local limit: nonlinear continuum solvation 160 4.4.3 Hybrid semi-empirical approaches: 'CANDLE' solvation 163 4.5 Grand-canonical DFT 164 4.6 Conclusions 168 References 169 5 Ab initio modeling of electrochemical interfaces and determination of electrode potentials 173Jia-Bo Le, Xiao-Hui Yang, Yong-Bing Zhuang, Feng Wang, and Jun Cheng 5.1 Introduction 173 5.2 Theoretical background of electrochemistry 175 5.2.1 Definition of electrode potential 175 5.2.2 Absolute potential energy of SHE 178 5.3 Short survey of computational methods for modeling electrochemical interfaces 179 5.4 Ab initio determination of electrode potentials of electrochemical interfaces 180 5.4.1 Work function based methods 180 5.4.1.1 Vacuum reference 180 5.4.1.2 Vacuum reference in two steps 181 5.4.2 Reference electrode based methods 183 5.4.2.1 Computational standard hydrogen electrode 183 5.4.2.2 Computational standard hydrogen electrode in two steps 185 5.4.2.3 Computational Ag/AgCl reference electrode 187 5.5 Computation of potentials of zero charge 187 5.6 Summary 190 Acknowledgement 191 References 191 6 Molecular Dynamics of the Electrochemical Interface and the Double Layer 201Axel Groß 6.1 Introduction 201 6.2 Continuum description of the electric double layer 202 6.3 Equilibrium coverage of metal electrodes 204 6.4 Firs

Atomic-Scale Modelling of Electrochemical Systems A comprehensive overview of atomistic computational electrochemistry, discussing methods, implementation, and state-of-the-art applications in the field The first book to review state-of-the-art computational and theoretical methods for modelling, understanding, and predicting the properties of electrochemical interfaces. This book presents a detailed description of the current methods, their background, limitations, and use for addressing the electrochemical interface and reactions. It also highlights several applications in electrocatalysis and electrochemistry. Atomic-Scale Modelling of Electrochemical Systems discusses different ways of including the electrode potential in the computational setup and fixed potential calculations within the framework of grand canonical density functional theory. It examines classical and quantum mechanical models for the solid-liquid interface and formation of an electrochemical double-layer using molecular dynamics and/or continuum descriptions. A thermodynamic description of the interface and reactions taking place at the interface as a function of the electrode potential is provided, as are novel ways to describe rates of heterogeneous electron transfer, proton-coupled electron transfer, and other electrocatalytic reactions. The book also covers multiscale modelling, where atomic level information is used for predicting experimental observables to enable direct comparison with experiments, to rationalize experimental results, and to predict the following electrochemical performance. Uniquely explains how to understand, predict, and optimize the properties and reactivity of electrochemical interfaces starting from the atomic scale Uses an engaging "tutorial style" presentation, highlighting a solid physicochemical background, computational implementation, and applications for different methods, including merits and limitations Bridges the gap between experimental electrochemistry and computational atomistic modelling Written by a team of experts within the field of computational electrochemistry and the wider computational condensed matter community, this book serves as an introduction to the subject for readers entering the field of atom-level electrochemical modeling, while also serving as an invaluable reference for advanced practitioners already working in the field.
(source: Nielsen Book Data)

This book is the first introduction/reference to the computer simulation of glass materials, which are growing in their applications such as telephone technology, construction materials, aerospace materials and more. Written by the leading experts and active practitioners from across the world, this book provides a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. After providing a concise overview of both classical and first principles simulation methods, the second part of the book focuses on practical examples of the application of atomistic simulations in the research of different glass systems: silica, silicate, aluminosilicate, borate, chalcogenide and halide glasses. Up-to-date information will be provided on simulations (both classical and ab initio methods) of these glass systems, and current challenges facing these systems will be discussed. Students and researchers in the fields of materials science, particularly glass science and ceramic engineering, inorganic solid state chemistry, computational materials and materials modeling will benefit from this important new book.
(source: Nielsen Book Data)

• ANALYTICAL ASPECTS Laboratory Logistics Analytical Benefits Standard Operation Procedure Commercial Aspects Workflow concepts Sample Workflow Design Sample Processing Instrumental Concepts Sample Delivery Operational Aspects Sample Handling Extraction - Clean-up Filtration Concentration Derivatization Heating - Cooling Mixing Consumables
• ANALYTICAL SOLUTIONS Dilution Regulated Methods Volatiles Residual solvents Semi-volatiles Phthalates Polyaromatic Hydrocarbons MCPD FAMEs Pesticides Extract clean-up Drugs Metabolomics PFOS/PFOA MOSH/MOAH Magnetic beads Doping steroids Flavors Pheromones On-line water Warfare agents Shale aldehydes
• MAINTENANCE Syringes Pipettes Hardware
• APPENDIX Glossary Solvent compatibility chart Syringe gauge chart Syringe needle styles.
• (source: Nielsen Book Data)

An essential guide to the proven automated sample preparation process While the measurement step in sample preparation is automated, the sample handling step is manual and all too often open to risk and errors. The manual process is of concern for accessing data quality as well as producing limited reproducibility and comparability. Handbook of Automated Sample Preparation for CG-MS and LC-MS explores the advantages of implementing automated sample preparation during the handling phase for CG-MS and LC-MS. The author, a noted expert on the topic, includes information on the proven workflows that can be put in place for many routine and regulated analytical methods. This book offers a guide to automated workflows for both on-line and off-line sample preparation. This process has proven to deliver consistent and comparable data quality, increased sample amounts, and improved cost efficiency. In addition, the process follows Standard Operation Procedures that are essential for audited laboratories. This important book: Provides the information and tools needed for the implementation of instrumental sample preparation workflows Offers proven and detailed examples that can be adapted in analytical laboratories Shows how automated sample preparation can reduce cost per sample, increase sample amounts, and produce faster results Includes illustrative examples from various fields such as chemistry to food safety and pharmaceuticals Written for personnel in analytical industry, pharmaceutical, and medical laboratories, Handbook of Automated Sample Preparation for CG-MS and LC-MS offers the much-needed tools for implementing the automated sample preparation for analytical laboratories.
(source: Nielsen Book Data)

• 1. Alkanes, composition, constitution, and configuration
• 2. Functional groups
• 3. Electronic structure of organic molecules
• 4. Alkenes and alkynes
• 5. Substitutions on saturated carbon atom
• 6. Nucleophilic additions
• 7. Stereochemistry, symmetry, and molecular chirality
• 8. Derivatives of carboxylic acids
• 9. Electrophilic substitutions
• 10. Pericyclic reactions
• 11. Organic natural products
• 12. Organic supramolecular and supermolecular structures.

This textbook is designed for students of biology, molecular biology, ecology, medicine, agriculture, forestry and other professions where the knowledge of organic chemistry plays an important role. The work may also be of interest to non-professionals, as well as to teachers in high schools. The book consists of 13 chapters that cover the essentials of organic chemistry, including - basic principles of structure and constitution of organic compounds, - the elements of the nomenclature, - the concepts of the nature of chemical bond, - introductions in NMR and IR spectroscopy, - the concepts and main classes of the organic reaction mechanisms, - reactions and properties of common classes or organic compounds, - and the introduction to the chemistry of the natural organic products followed by basic principles of the reactions in living cells. This second edition includes revisions and suggestions made by the readers of the first edition and the author's colleagues. In addition, it includes substantial changes compared to the first edition. The chapter on Cycloaddition has been completed by including the other pericyclic reactions (sigmatropic rearrangements, electrocyclic reactions). The chapter on Organic Natural Products has been extended to include new section covering the principles of organic synthesis. New chapter "Organic Supramolecular and Supermolecular Structures" is added. This chapter covers the basic knowledge about the molecular recognition, supramolecular structures, and the mechanisms of the enzyme catalyzed reactions. .
(source: Nielsen Book Data)

• Introduction: Carbon Monoxide as Synthon in Organic Synthesis / Bartolo Gabriele
• Carbonylations Promoted by First Row Transition Metal Catalysts. Cobalt-Catalyzed Carbonylations / Jerome Volkman, Philippe Kalck
• Nickel-Catalyzed Carbonylations / Debarati Das, Bhalchandra M Bhanage
• Carbonylations Catalyzed by Other First Row Transition-Metal Catalysts (Manganese, Iron, Copper) / Chong-Liang Li, Hai Wang, Xiao-Feng Wu
• Carbonylations Promoted by Second Row Transition Metal Catalysts. Ruthenium-Catalyzed Carbonylations / Helfried Neumann, Rajenahally V Jagadeesh
• Rhodium-Catalyzed Carbonylations / Oreste Piccolo, Stefano Paganelli
• Palladium(0)-Catalyzed Carbonylations / Jianming Liu, Chengtao Yue, Fuwei Li
• Palladium(II)-Catalyzed Carbonylations / Bartolo Gabriele, Nicola Della Ca', Raffaella Mancuso, Lucia Veltri, Ida Ziccarelli
• Carbonylations Catalyzed by Other Second-Row Transition Metal Catalysts / Francesca Foschi, Gianluigi Broggini
• Miscellaneous Carbonylation Reactions. Carbonylations Promoted by Third-Row Transition Metal Catalysts / Anthony Haynes
• Transition Metal-Free Carbonylation Processes / Lu Cheng, Binbin Liu, Fangning Xu, Wei Han
• Conclusions and Perspectives / Bartolo Gabriele.

• Preface ix Preface to the First Edition xi List of Contributors xiii Part I Asymmetric Organocatalysis 1 1 Asymmetric Enamine and Iminium Ion Catalysis 3 Yujiro Hayashi 2 Asymmetric Acid Organocatalysis 29 Takahiko Akiyama 3 Asymmetric Base Organocatalysis 81 Azusa Kondoh and Masahiro Terada 4 Asymmetric Phase-Transfer and Ion-Pair Organocatalyses 117 Edward Miller, Patrick J. Moon, and F. Dean Toste 5 Asymmetric Peptide Catalysis 157 Kazuaki Kudo 6 Asymmetric Carbene Catalysis: A Brief Highlight of Developments in the Past Decade 199 Jia-Lei Yan, Hongling Wang, and Yonggui Robin Chi 7 Asymmetric Hypervalent Iodine Catalysis 243 Muhammet Uyanik and Kazuaki Ishihara Part II Asymmetric Photochemical Reactions and Photoredox Catalysis 277 8 Asymmetric Visible-Light Photoredox Catalysis 279 Jiyuan Lyu, Aurelie Claraz, and Geraldine Masson 9 Asymmetric Photoredox Reactions without Photocatalysts 329 Dengke Ma, Thomas Hin-Fung Wong, and Paolo Melchiorre 10 Enantioselective Photochemical [2+2] Cycloaddition Reactions 355 Freya M. Harvey and Thorsten Bach Part III Asymmetric Synthesis Through C-H Bond Activation 385 11 Asymmetric C-H Functionalization of C(sp2)-H Bond 387 Uttam Dhawa, Tomasz Wdowik, and Lutz Ackermann 12 Asymmetric C-H Functionalization of C(sp3)-H Bond 429 Xiao Zhang, Yangyang Shen, Eva Bednar ova, and Tomislav Rovis Part IV Asymmetric Synthesis Through Carbon-Halogen Bond Formation and Enzyme Catalysis 491 13 Asymmetric Carbon-Halogen Bond Forming Reactions (Excluding C-H Activation Processes) 493 Santos Fustero, Attila M. Remete, Lorand Kiss, Mercedes Medio-Simon, Jorge Escorihuela, and Daniel M. Sedgwick 14 Enzyme-Catalyzed Asymmetric Synthesis 531 Gonzalo de Gonzalo and Andres R. Alcantara Part V Asymmetric Hydrogenation 559 15 Asymmetric Hydrogenation 561 Anton Vidal-Ferran, Arnald Grabulosa, Xavier Verdaguer, and Antoni Riera Part VI Asymmetric Carbon-Carbon Bond Forming Reactions Chapter 617 16 Asymmetric Nucleophilic Addition to Ketones and Ketimines and Conjugate Addition Reactions 619 Luo Ge and Syuzanna R. Harutyunyan 17 Asymmetric Allylic Alkylation, Allylation, and Related Reactions 661 Tyler J. Fulton, Yun E. Du, and Brian M. Stoltz 18 Asymmetric Carbometallations Including Carbocyclizations 705 Ken Tanaka Part VII Asymmetric Synthesis of Non-Centro- Chiral Compounds 727 19 Asymmetric Synthesis of Axially Chiral Compounds 729 Shaohua Xiang, Jun Kee Cheng, and Bin Tan 20 Asymmetric Synthesis of Planar Chiral and Helically Chiral Compounds 769 Takanori Shibata Part VIII Asymmetric Polymerization 803 21 Asymmetric Polymerization 805 Jie Li and Xiao-Bing Lu Part IX Asymmetric Catalysis in Continuous-Flow System 831 22 Continuous-Flow Chemistry in Catalytic Asymmetric Synthesis 833 Haruro Ishitani, Yuki Saito, and Shu Kobayashi Index 869
• .
• (source: Nielsen Book Data)

Catalytic Asymmetric Synthesis Seminal text presenting detailed accounts of the most important catalytic asymmetric reactions known today This book covers the preparation of enantiomerically pure or enriched chemical compounds by use of chiral catalyst molecules. While reviewing the most important catalytic methods for asymmetric organic synthesis, this book highlights the most important and recent developments in catalytic asymmetric synthesis. Edited by two well-qualified experts, sample topics covered in the work include: Metal catalysis, organocatalysis, photoredox catalysis, enzyme catalysis C-H bond functionalization reactions Carbon-carbon bond formation reactions, carbon-halogen bond formation reactions, hydrogenations, polymerizations, flow reactions Axially chiral compounds Retaining the best of its predecessors but now thoroughly up to date with the important and recent developments in catalytic asymmetric synthesis, the 4th edition of Catalytic Asymmetric Synthesis serves as an excellent desktop reference and text for researchers and students, from upper-level undergraduates all the way to experienced professionals in industry or academia.
(source: Nielsen Book Data)

• 1. Introduction and scope
• Part I: Physics and chemistry 2. The physics of molecular systems 3. Chemical concepts and their physical counterpart 4. A brief historical account
• Part II: Nuclear dynamics and chemical reactions 5. Reactive collisions 6. The potential-energy surface 7. Theoretical treatments 8. From theory to computing: collinear reactive scattering with real wavepackets 9. From reaction dynamics to chemical kinetics 10. Application: C + CH+ -> C2+ + H: an astrochemical reaction 11. Towards complexity
• Part III: Electronic structure and chemical bonding 12. The wavefunction and the electron density 13. From theory to computing: the Hartree-Fock model 14. The atom and the bond 15. From theory to computing: analyzing the electron-charge redistribution 16. Application: donation and backdonation in coordination chemistry 17. Relativity and chemistry
• Part IV: Chemistry and Computer Science 18. Scientific computing 19. Virtual reality 20. Data-driven chemistry 21. Towards open molecular science.
• (source: Nielsen Book Data)

Chemistry at the Frontier with Physics and Computer Science: Theory and Computation shows how chemical concepts relate to their physical counterparts and can be effectively explored via computational tools. It provides a holistic overview of the intersection of these fields and offers practical examples on how to solve a chemical problem from a theoretical and computational perspective, going from theory to models, methods and implementation. Sections cover both sides of the Born-Oppenheimer approximation (nuclear dynamics and electronic structure), chemical reactions, chemical bonding, and cover theory to practice on three related physical problems (wavepacket dynamics, Hartree-Fock equations and electron-cloud redistribution). Drawing on the interdisciplinary knowledge of its expert author, this book provides a contemporary guide to theoretical and computational chemistry for all those working in chemical physics, physical chemistry and related fields.
(source: Nielsen Book Data)

• Part A
• 1. Synthesis and physical properties of 2-Oxoaldehydes and 2-Oxoacids.
• 2. Structure and spectral characteristics of 2-Oxoaldehydes and 2-Oxoacids
• 3. Applications of 2-Oxoaldehydes Part B
• 4. Applications of 2-Oxoacids
• 5. Summary.
• (source: Nielsen Book Data)

Chemistry of 2-Oxoaldehydes and 2-Oxoacids offers complete coverage on 2-oxoaldehydes and 2-oxoacid, which to date have not been covered in a comprehensive manner. Novel reactions related to 2-oxoaldehydes and 2-oxoacids on keto and aldehydic groups (both participating separately or in combination), decarboxylative reactions, spectral analysis and diverse applications are explored. The book is divided into two parts, with the first outlining methods for the preparation and physical properties of 2-Oxoaldehydes, along with the structure, spectral characteristics and reactivity of 2-Oxoaldehydes. The second part covers the preparation and physical properties of 2-Oxoacids and the synthesis of many related reactions. This book is essential reading for researchers working on these types of reactions in organic chemistry, medicinal chemistry, natural product chemistry and pharmaceutical chemistry.
(source: Nielsen Book Data)

• Introduction.- Modern Spectroscopic Analysis Technology.- Basis of Matrix and Mathematical Statistics.- Preprocessing Methods in Spectroscopy Analysis.- Wavelength Variable Selection Method.- Spectral Dimensionality Reduction Method.- Linear Regression Method.- Non-Linear Regression Method.- Selection of Representative samples.- Outlier Detection Method.- Calibration Model Maintenance.- Pattern Recognition.- Evaluation of Model Performance.- Ways to Improve Model Predictive Ability.- Multi-spectral Fusion Technology.- Multi-way Resolution and Calibration.- Calibration Transfer Method.- Deep Learning Algorithms.- Chemometrics Software and Toolbox.- Discussions.
• (source: Nielsen Book Data)

This book discusses chemometric methods for spectroscopy analysis including NIR, MIR, Raman, NMR, and LIBS, from the perspective of practical applied spectroscopy. It covers all aspects of chemometrics associated with analytical spectroscopy, including representative sample selection algorithm, outlier detection algorithm, model updating and maintenance algorithm and strategy and calibration performance evaluation methods.To provide a systematic and comprehensive overview the latest progress of chemometric methods including recent scientific research and practical applications are presented. In addition the book also highlights the improvement of classical algorithms and the extension of common strategies. It is therefore useful as a reference book for researchers engaged in analytical spectroscopy technology, chemometrics, analytical instruments and other related fields.
(source: Nielsen Book Data)

• Introduction.- Review of Combustion Thermodynamics and Kinetics.- Review of Combustion Phenomena.- Burners for Gaseous Fuels.- Burners for Liquid Fuels.- Solid Fuel Systems.- Alternative Fuels.- Numerical Modelling of Laminar Flames.
• (source: Nielsen Book Data)

This textbook is intended for post-graduate students in mechanical and allied engineering disciplines. It will also be helpful to scientists and engineers working in the areas of combustion to recapitulate the fundamental and generally applied aspects of combustion. This textbook comprehensively covers the fundamental aspects of combustion. It includes physical descriptions of premixed and non-premixed flames. It provides a detailed analysis of the basic ideas and design characteristics of burners for gaseous, liquid and solid fuels. A chapter on alternative renewable fuels has also been included to bring out the need, characteristics and usage of alternative fuels. Review questions have been provided at the end of each chapter which will help the students to evaluate their understanding of the important concepts covered in that chapter. Several standard text books have been cited in the chapters and are listed towards the end, as suggested reading, to enable the readers to refer them when required. The textbook will be useful for students in mechanical, aerospace and related fields of engineering. It will also be a good resource for professionals and researchers working in the areas of combustion technology.
(source: Nielsen Book Data)

• Introduction to Computational and Data-Driven Chemistry Using AI Goal-directed generation of new molecules by AI methods Compounds based on structural database of X-ray crystallography Approaches using AI in Medicinal Chemistry Application of Machine learning algorithms for use in material chemistry Predicting Conformers of Flexible Metal Complexes using Deep Neural Network Predicting Activity and Activation Factor of Catalytic Reactions Using Machine Learning Convolutional Neural Networks for the Design and Analysis of Non-Fullerene Acceptors.
• (source: Nielsen Book Data)

Computational and Data-Driven Chemistry Using Artificial Intelligence: Volume 1: Fundamentals, Methods and Applications highlights fundamental knowledge and current developments in the field, giving readers insight into how these tools can be harnessed to enhance their own work. Offering the ability to process large or complex data-sets, compare molecular characteristics and behaviors, and help researchers design or identify new structures, Artificial Intelligence (AI) holds huge potential to revolutionize the future of chemistry. Volume 1 explores the fundamental knowledge and current methods being used to apply AI across a whole host of chemistry applications. Drawing on the knowledge of its expert team of global contributors, the book offers fascinating insight into this rapidly developing field and serves as a great resource for all those interested in exploring the opportunities afforded by the intersection of chemistry and AI in their own work. Part 1 provides foundational information on AI in chemistry, with an introduction to the field and guidance on database usage and statistical analysis to help support newcomers to the field. Part 2 then goes on to discuss approaches currently used to address problems in broad areas such as computational and theoretical chemistry; materials, synthetic and medicinal chemistry; crystallography, analytical chemistry, and spectroscopy. Finally, potential future trends in the field are discussed.
(source: Nielsen Book Data)

• Foundations. Historic Overview / Paul Geerlings
• Basic Functions / Frank De Proft
• Basic Formalism / Paul W Ayers, Shubin Liu
• Basic Principles / Debdutta Chakraborty, Pratim K Chattaraj
• Extensions. Conceptual DFT and Excited States / Frédéric Guégan, Lynda Merzoud, Henry Chermette, Christophe Morell
• Chemical Response Functions in (Quasi-)Degenerate States / Patrick Bultinck, Carlos Cárdenas
• Spin-Polarized CDFT / Eduardo Chamorro
• Finite Temperature Conceptual Density Functional Theory / José L Gázquez, Marco Franco-Pérez
• Chemical Reactivity in Time-Dependent Situations / Utpal Sarkar, Pratim Kumar Chattaraj
• Selectivity: An Electron Density Perspective / Mar Ríos-Gutiérrez, Ramón Alain Miranda-Quintana
• Charge Transfer Models in Conceptual DFT / Alberto Vela, José L Gázquez, Ulises Orozco-Valencia
• Reaction Electronic Flux / Luis Rincon, F Javier Torres
• Mechanical Force / Tom Bettens, Frank De Proft
• The Hard/Soft Acid/Base Rule: A Perspective from Conceptual Density-Functional Theory / Paul W Ayers, Menatalla Mohamed, Farnaz Heidar-Zadeh
• Information-Theoretic Approach / Chunying Rong, Donghai Yu, Shubin Liu
• The Linear Response Function / Paul Geerlings
• Valence-State Concepts and Implications for CDFT / László Szentpály, Romola A Bernard
• Chemical Information / Rubén Laplaza, Julen Munárriz, Julia Contreras-García
• Molecular Face / Dong-Xia Zhao, Hong Huang, Zhong-Zhi Yang
• Bridging Conceptual Density Functional and Valence Bond Theories / Thijs Stuyver, Sason Shaik
• Applications. A Conceptual Density Functional Theoretic View of Chemical Binding / Swapan K Ghosh
• Molecular Acidity, PCET, and Metal Specificity / Dongbo Zhao, Shubin Liu
• On the Mechanisms of Chemical Reactions / Soledad Gutiérrez-Oliva, Angie Carolay Forero-Girón, Nery Villegas-Escobar, Alejandro Toro-Labbé
• Application of Reactivity Indices in the Study of Polar D iels- A lder Reactions / Luis R Domingo, Mar Ríos-Gutiérrez
• Interaction Locality in Molecular Crystals / Kanupriya Verma, Tonglei Li
• A Conceptual DFT Approach Toward Analyzing Hydrogen Storage Potential / Arindam Chakraborty, Sukanta Mondal, Rakesh Parida, Santanab Giri, Pratim K Chattaraj
• The Fukui Function in Extended Systems: Theory and Applications / Carlos Cárdenas, Andrea Echeverry, Trinidad Novoa, Andrés Robles-Navarro, T Gomez, Patricio Fuentealba
• Fermi Softness: A Local Perspective on Surface Activity / Bing Huang, Lin Zhuang
• ABEEM Polarizable Force Field / Dong-Xia Zhao, Zhong-Zhi Yang
• Charge Transfer and Polarization in Force Fields: An Ab Initio Approach Based on the (Atom-Condensed) Kohn-Sham Equations, Approximated by Second-Order Perturbation Theory About the Reference Atoms (ACKS2) / Paul W Ayers
• Implementations. Realization of Conceptual Density Functional Theory and Information-Theoretic Approach in Multiwfn Program / Tian Lu, Qinxue Chen
• ChemTools: Gain Chemical Insight from Quantum Chemistry Calculations / Leila Pujal*, Alireza Tehrani*, Farnaz Heidar-Zadeh.

• Chapte
• r1: Fundamentals of Electrode Processes.- Chapte
• r2: Basic Voltammetry for Micro and Macroelectrodes.- Chapte
• r3: Advanced Voltammetry with Coupled Chemical Reactions.- Chapte
• r4: Hydrodynamic or Forced Convection Voltammetry.- Chapte
• r5: Electrochemical Cell Types and Applications.
• (source: Nielsen Book Data)

This book provides targeted support for students taking courses at the undergraduate level involving electrochemical methods and voltammetry, precision analytical techniques used in chemical engineering, chemical research and development, and pharmaceutical science. The learning method applied in this book, and the contents chosen, have been specifically tried-and-tested to support students preparing for exams, and for those having difficulty absorbing concepts and attaining an analytical understanding of their application. Through this book, "written for students by a student, " the author provides accessible learning resources that address students' needs when preparing for examinations.
(source: Nielsen Book Data)

• Conductive Polymers in Green Analytical Chemistry / Bahrani, Sonia, Health Policy Research Center, Health Institute, Shiraz University of Medical Sciences, Shiraz, Iran; Hashemi, Seyyed Alireza, Nanomaterials and Polymer Nanocomposites Laboratory, School of Engineering, University of British Columbia, Kelowna, BC V1V 1V7, Canada; Mousavi, Seyyed Mojtaba, Department of Chemical Engineering, National Taiwan University of Science and Technology, Taiwan; Arjmand, Mohammad, Nanomaterials and Polymer Nanocomposites Laboratory, School of Engineering, University of British Columbia, Kelowna, BC V1V 1V7, Canada; Ghalamfarsa, Farideh, Department of Medical Biotechnology, School of Advanced Medical Sciences and Technologies, Shiraz University of Medical Sciences, Shiraz, Iran; Ghaedi, Mehrorang, Chemistry Department, Yasouj University, Yasouj, Iran / http://dx.doi.org/10.1021/bk-2022-1405.ch001
• Properties of Conducting Polymers / Ghomi, Matineh, School of Chemistry, Damghan University, Damghan 36716-41167, Iran; Zare, Ehsan Nazarzadeh, School of Chemistry, Damghan University, Damghan 36716-41167, Iran; Varma, Rajender S., Regional Centre of Advanced Technologies and Materials, Czech Advanced Technology and Research Institute, Palacký University in Olomouc, Šlechtitelu 27, Olomouc 783 71, Czech Republic / http://dx.doi.org/10.1021/bk-2022-1405.ch002
• Preparation of Conducting Polymers/Composites / Ghomi, Matineh, School of Chemistry, Damghan University, Damghan 36716-41167, Iran; Zare, Ehsan Nazarzadeh, School of Chemistry, Damghan University, Damghan 36716-41167, Iran; Varma, Rajender S., Regional Centre of Advanced Technologies and Materials, Czech Advanced Technology and Research Institute, Palacký University in Olomouc, Šlechtitelu 27, Olomouc 783 71, Czech Republic / http://dx.doi.org/10.1021/bk-2022-1405.ch003
• Cleanup and Remediation Based on Conductive Polymers / Yamini, Yadollah, Department of Chemistry, Tarbiat Modares University, P.O. Box 14115-175, Tehran, Iran; Tajik, Mohammad, School of Chemistry, University of New South Wales, Sydney, NSW 2052, Australia; Baharfar, Mahroo, School of Chemical Engineering, University of New South Wales, Sydney, NSW 2052, Australia / http://dx.doi.org/10.1021/bk-2022-1405.ch004
• Sample Preparation with Conductive Polymers / Canpolat, Gurbet, Department of Chemistry, Siirt University, 56100 Siirt, Turkey; Dolak, İbrahim, Vocational School of Technical Sciences, Dicle University, 21280 Diyarbakır, Turkey; Hussain, Chaudhery Ghazanfar, Department of Education Lahore, Computer Science and Technology, Lahore 54840, Punjab, Pakistan; Keçili, Rüstem, Department of Medical Services and Techniques, Yunus Emre Vocational School of Health Services, Anadolu University, 26470 Eskişehir, Turkey; Hussain, Chaudhery Mustansar, Department of Chemistry and Environmental Science, New Jersey Institute of Technology, Newark, New Jersey 07102, United States / http://dx.doi.org/10.1021/bk-2022-1405.ch005
• Use of Conductive Polymers in Separation/Identification Stage of Analysis / Kamalabadi, Mahdie, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Ghoorchian, Arash, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Amouzegar, Zahra, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Jalali Sarvestani, Mohammad Reza, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Jalal, Nahid Rezvani, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Asadi, Sepideh, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Khalili, Sina, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Afkhami, Abbas, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Madrakian, Tayyebeh, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran; Ahmadi, Mazaher, Faculty of Chemistry, Bu-Ali Sina University, Hamedan, Iran / http://dx.doi.org/10.1021/bk-2022-1405.ch006
• Use of Conductive Polymers in Detection Stage of Analysis/Miniaturization Devices / Ghoorchian, Arash, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran; Amouzegar, Zahra, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran; Moradi, Mahdi, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran; Khalili, Sina, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran; Afkhami, Abbas, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran; Madrakian, Tayyebeh, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran; Ahmadi, Mazaher, Faculty of Chemistry, Bu-Ali Sina University, Hamedan 6517838695, Iran / http://dx.doi.org/10.1021/bk-2022-1405.ch007

• Application of Conductive Polymers in Electrochemistry / Ensafi, Ali A., Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Iran, Department of Chemistry & Biochemistry, University of Arkansas, Fayetteville, Arkansas 72701, United States; Mousaabadi, Kimia Zarean, Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Iran; Fazel-Zarandi, Reyhaneh, Department of Chemistry, Isfahan University of Technology, Isfahan 84156-83111, Iran / http://dx.doi.org/10.1021/bk-2022-1405.ch008
• Nanoscale Sensors Based on Conductive Polymers / Hosseini, Seyede Somayeh, University of Kurdistan, Department of Chemistry, 66177-15175 Sanandaj, Iran; Salimi, Abdollah, University of Kurdistan, Department of Chemistry, 66177-15175 Sanandaj, Iran, Research Center for Nanotechnology, University of Kurdistan, 66177-15175 Sanandaj, Iran; Adeli, Mohsen, Department of Chemistry, Lorestan University, Khorramabad, Iran / http://dx.doi.org/10.1021/bk-2022-1405.ch009
• Molecularly Imprinted Conductive Polymers / Faridbod, Farnoush, Center of Excellence in Electrochemistry, School of Chemistry, College of Science, University of Tehran, P.O. Box 14155-6455, Tehran, Iran; Zoughi, Sheida, Center of Excellence in Electrochemistry, School of Chemistry, College of Science, University of Tehran, P.O. Box 14155-6455, Tehran, Iran; Alizadeh, Taher, Department of Analytical Chemistry, Faculty of Chemistry, University College of Science, University of Tehran, P.O. Box 14155-6455, Tehran, Iran; Ganjali, Mohammad Reza, Center of Excellence in Electrochemistry, School of Chemistry, College of Science, University of Tehran, P.O. Box 14155-6455, Tehran, Iran, Biosensor Research Center, Endocrinology and Metabolism Molecular-Cellular Sciences Institute, Tehran University of Medical Sciences, P.O. Box 1411713137, Tehran, Iran / http://dx.doi.org/10.1021/bk-2022-1405.ch010
• Chiral Conductive Polymers / Majidi, Mir Reza, Department of Analytical Chemistry, Faculty of Chemistry, University of Tabriz, 51666 16471 Tabriz, Iran; Sohrabi, Hessamaddin, Department of Analytical Chemistry, Faculty of Chemistry, University of Tabriz, 51666 16471 Tabriz, Iran / http://dx.doi.org/10.1021/bk-2022-1405.ch011

• Application of Conductive Polymer Nanocomposites / Beitollahi, Hadi, Environment Department, Institute of Science and High Technology and Environmental Sciences, Graduate University of Advanced Technology, Kerman 76315-117, Iran; Dourandish, Zahra, Environment Department, Institute of Science and High Technology and Environmental Sciences, Graduate University of Advanced Technology, Kerman 76315-117, Iran; Tajik, Somayeh, Research Center of Tropical and Infectious Diseases, Kerman University of Medical Sciences, Kerman 7616913555, Iran; Jahani, Peyman Mohammadzadeh, School of Medicine, Bam University of Medical Sciences, Bam 7661771967, Iran / http://dx.doi.org/10.1021/bk-2022-1405.ch012
• Editors' Biographies / http://dx.doi.org/10.1021/bk-2022-1405.ot001

"Conductive polymers have great potential for antistatic materials. Their key properties include high mechanical, thermal, and chemical stability, easy synthesis, and high synthetic tuneability, among others. This work provides an introduction to conductive polymers as well as descriptions of key applications in analytical chemistry, from sample preparation, integration, and detection. Chemists, materials scientists, environmental analysts, forensic scientists, and many others will find this volume useful."-- provided by publisher.

• 1. Batteries and charge storage devices based on p-conjugated polymeric materials
• 2. Renewable cathode materials dependent on conjugated polymer composite systems
• 3. Classification and application of redox-active polymer materials for energy storage nanoarchitectonics
• 4. The growth of organic electrode materials for energy storage applications
• 5. p-Conjugated polymeric materials for cutting-edge electrochemical energy storage devices
• 6. Nanoarchitectonics of conjugated polymers in supercapacitor applications
• 7. Current trends in flexible and wearable supercapacitors based on conjugated polymers
• 8. Conjugated polymer-based electrodes for flexible all-solid-state supercapacitors
• 9. Conjugated polymers for flexible energy harvesting and storage devices
• 10. Conjugated polymer and phase-change materials for energy storage and green buildings
• 11. Supercapacitors: a review on electrode materials and models based on conjugated polymers
• 12. Conjugated polymers for solar cell applications.
• (source: Nielsen Book Data)

Conjugated Polymers for Next-Generation Applications, Volume Two: Energy Storage Devices describes the synthesis and characterization of varied conjugated polymeric materials and their key applications, including active electrode materials for electrochemical capacitors and lithium-ion batteries, along with new ideas of functional materials for next-generation high-energy batteries, a discussion of common design procedures, and the pros and cons of conjugated polymers for certain applications. The book's emphasis lies in the underlying electronic properties of conjugated polymers, their characterization and analysis, and the evaluation of their effectiveness for utilization in energy and electronics applications. This book is ideal for researchers and practitioners in the area of materials science, chemistry and chemical engineering.
(source: Nielsen Book Data)

• Overviews of noble metal nanocrystals.- Advanced synthesis methods of noble metal nanocrystals.- Characterization methods for noble metal nanocrystals.- Applications of noble metal nanocrystals.- Electrocatalytic water splitting technology.- Conclusions.
• (source: Nielsen Book Data)

This book introduces readers to the preparation of metal nanocrystals and its applications. In this book, an important point highlighted is how to design noble metal nanocrystals at the atomic scale for energy conversion and storage. It also focuses on the controllable synthesis of water splitting electrode materials including anodic oxygen evolution reaction (OER) and cathode hydrogen evolution reaction (HER) at the atomic level by defect engineering and synergistic effect. In addition, in-situ technologies and theoretical calculations are utilized to reveal the catalytic mechanisms of catalysts under realistic operating condition. The findings presented not only enrich research in the nano-field, but also support the promotion of national and international cooperation.
(source: Nielsen Book Data)

• Volume 1: A Cultural History of Chemistry in Antiquity Edited by Marco Beretta, University of Bologna, Italy Series Preface List of Illustrations Acknowledgements Introduction, Marco Beretta 1.Theory and Concepts: The Mythological Foundation of Chemical Theories in Ancient Civilizations, Sydney H. Aufrere, Cale Johnson, Matteo Martelli, Marco Beretta 2.Practice and Experiment: The Conquest of Matter, Sydney H. Aufrere, Cale Johnson, Matteo Martelli, Marco Beretta 3.Laboratories and Technology: From Temples to Workshops: Sites of Chemistry in Ancient Civilizations, Sydney H. Aufrere, Cale Johnson, Matteo Martelli, Marco Beretta 4.Culture and Science: Gods, Myths and Religions, Sydney H. Aufrere, Cale Johnson, Matteo Martelli, Marco Beretta 5.Society and Environment: The Alteration of the Ancient Landscape, Sydney H. Aufrere, Cale Johnson, Matteo Martelli, Marco Beretta 6.Trade and Industry: The Circulation of Trade in the Mediterranean, Sydney H. Aufrere, Cale Johnson, Matteo Martelli, Marco Beretta 7.Learning and Institutions: The Invention of Chemical Recipes, Sydney H. Aufrere, Cale Johnson, Matteo Martelli, Marco Beretta 8.Art and Representation: The Iconographic Imprinting of Ancient Chemical Arts, Sydney H. Aufrere, Cale Johnson, Matteo Martelli, Marco Beretta Notes Bibliography Index Volume 2: A Cultural History of Chemistry in the Middle Ages Edited by Charles Burnett, Warburg Institute, University of London, UK, and Sebastien Moureau, FNRS, University of Louvain, Belgium Series Preface List of Illustrations Introduction, Sebastien Moureau. 1.Theory and Concepts: The Shared Heritage of Byzantine, Arabo-Muslim, and Latin Alchemy, Matteo Martelli, Sebastien Moureau and Jennifer M. Rampling 2.Practice and Experiment: Alchemical Operations in the Middle Ages, Sebastien Moureau and Nicolas Thomas 3.Laboratories and Technology: Alchemical Equipment in the Middle Ages, Nicolas Thomas and Sebastien Moureau 4.Culture and Knowledge: Alchemy's Scientific Contexts and Critiques, Regula Forster and Jean-Marc Mandosio with Antoine Calvet and Gabriele Ferrario 5.Society and Environment: The Social Position of the Alchemist, and Alchemy in the Court, in the Church and in Society, Charles Burnett with Antoine Calvet and Justine Bayley 6.Trade and Industry: Medieval Craftsmanship and Technology Transfer, Justine Bayley with Spike Bucklow 7.Learning and Institutions: Teaching the Art East and West, Regula Forster and Jean-Marc Mandosio with Antoine Calvet 8.Art and Representation: The Alchemical Image in the Islamic and Christian Middle Ages, Jennifer M. Rampling Notes Bibliography Contributor's List Index Volume 3: A Cultural History of Chemistry in the Early Modern Age Edited by Bruce T. Moran, University of Nevada at Reno, USA List of Illustrations Series Preface Introduction: Chemistry, Shifting Meaning, and Shapes of Experience in the Early Modern Era, Bruce T Moran 1.Theory and Concepts: Conceptual Foundations of Early Modern Chymical Thought and Practice, Lawrence Principe 2.Practice and Experiment: Cultures of Chymical Analysis, Joel A. Klein 3.Laboratories and Technology: Chymical Practice and Sensory Experience, Donna Bilak 4.Culture and Science: The Development and Spread of Chemical "Knowledges" across Evolving Cultures and Communities, Andrew Sparling 5.Society and Environment: The Social Landscape of Early Modern Chemistry, William Eamon 6.Trade and Industry: Chemical Economies and the Business of Distillation, Tillmann Taape 7.Learning and Institutions: Chymical Cultures at Courts and Universities, Margaret Garber 8.Art and Representation: Skepticism and Curiosity for the Alchemist at Work, Elisabeth Berry Drago Notes Bibliography Notes on Contributors Volume 4: A Cultural History of Chemistry in the Eighteenth Century Edited by Matthew Eddy, University of Durham, UK, and Ursula Klein, Max Planck Institute for the History of Science, Germany Series Preface List of Illustrations
• Introduction: The Core Concepts and Cultural Context of Eighteenth-Century Chemistry, Ursula Klein and Matthew Daniel Eddy 1.Theory and Concepts: Transformations of Chemical Ideas in the Eighteenth Century, Ursula Klein 2.Practice and Experiment: Operations, Skills, and Experience in Eighteenth-Century Chemistry, Victor Boantza 3.Laboratories and Technology, Marco Beretta 4.Culture and Knowledge: Chemistry in its Golden Age, Bernadette Bensaude-Vincent 5.Society and Environment: Chemistry and Daily Life during the Eighteenth Century, Matthew Daniel Eddy 6.Trade and Industry: An Era of New Chemical Industries and Technologies, Leslie Tomory 7.Learning and Institutions: Didactic Chemistry and Practical Instruction, John C. Powers 8.Art and Representation: Cultural Modalities of Chemistry in the Eighteenth Century, John R. R. Christie Notes Bibliography List of Contributors Index Volume 5: A Cultural History of Chemistry in the Nineteenth Century Edited by Peter J. Ramberg, Truman State University, USA List of Illustrations Series Preface Introduction: Creating Modern Chemistry, Peter J. Ramberg 1. Theory and Concepts: Atomism, Structure and Affinity, Trevor Levere 2. Practice and Experiment: Analysis, Synthesis and Paper Tools, Yoshiyuki Kikuchi 3. Laboratories and Technology: Continuity and Ingenuity in the Workplace, Amy A. Fisher 4. Science and Culture: Chemistry Spreads its Influence, Agusti Nieto Galan and Peter J. Ramberg 5. Society and Environment: Increased access for women, growing consumerism and emerging regulation, Peter Reed 6. Trade and Industry: New Demands, New Processes, and the Emergence of Science-Based Chemical Industry, Anthony S. Travis 7. Institutions and Learning: Emergence of Laboratory-Based Learning, Research Schools and Professionalization, Peter Reed 8. Art and Representation: The Rise of the "Mad Scientist, " Joachim Schummer Endnotes Bibliography Contributors List Index Volume 6: A Cultural History of Chemistry in the Modern Age Edited by Peter J.T. Morris, Science Museum, UK Series Preface List of Illustrations List of Tables Introduction, Peter J.T. Morris 1.Theory and Concepts: Stability and Transformation in Chemical Problems and Explanation 1914 to the Present, Mary Jo Nye 2.Practice and Experiment: From Laboratory Research to Teaching and Policy Making, Jose Ramon Bertomeu-Sanchez and Antonio Garcia-Belmar 3.Laboratories and Technology: An Era of Transformations, Peter J.T. Morris 4.Culture and Science: Materials and Methods in Society, Carsten Reinhardt 5.Society and Environment: The Advance of Women and the International Regulation of Pollution, Peter Reed 6.Trade and Industry: The Growth, Diversification, and Dissolution of a Global Industry, Peter J.T. Morris and Anthony S. Travis 7.Learning and Institutions: Global Developments since 1914, Jeffrey Allan Johnson, Yasu Furukawa, and Lijing Jiang 8.Art and Representation: From the 'Mad Scientist' to Poison Gas and Chemical Pollution, Joachim Schummer Notes Bibliography Contributor's List Index.
• (source: Nielsen Book Data)

From prehistoric metal extraction to medieval alchemy to modern industry, chemistry has been central to our understanding and use of the physical world as well as to trade, warfare and medicine. In its turn, chemistry has been shaped by changing technologies, institutions and cultural beliefs. A Cultural History of Chemistry presents the first detailed and authoritative survey from antiquity to today, focusing on the West but integrating key developments in Egypt, Mesopotamia, and the Arabic-Islamic and Byzantine empires. Chapter titles are identical across each of the volumes. This gives the choice of reading about a specific period in one of the volumes, or following a theme across history by reading the relevant chapter in each of the six. The themes (and chapter titles) are: Theory and Concepts; Practice and Experiment; Sites and Technology; Culture and Knowledge; Society and Environment; Trade and Industry; Learning and Institutions; Art and Representation. The six volumes cover: 1 - Antiquity (3,000 BCE to 600 CE); 2 - Medieval Age (600 to 1500); 3 - Early Modern (1500 to 1700); 4 - Eighteenth Century (1700 to 1815); 5 - Nineteenth Century (1815 to 1914); 6 - Modern Age (1914 to the Present). The page extent for the pack is 1728pp. Each volume opens with an Introduction and concludes with Notes, Bibliography, and an Index. The Cultural Histories Series A Cultural History of Chemistry is part of The Cultural Histories Series. Titles are available both as printed hardcover sets for libraries needing just one subject or preferring a one-off purchase and tangible reference for their shelves, or as part of a fully-searchable digital library available to institutions by annual subscription or on perpetual access (see www.bloomsburyculturalhistory.com).
(source: Nielsen Book Data)

• Spreading of Complex Fluids Drops
• Wetting and Contact Line Motion
• Evaporation of Ternary Sessile Drops
• Mathematical Models for the Evaporation of Sessile Droplets
• Deposition Control of Inkjet-printed Drops
• Spreading and Evaporation of Surfactant Drops
• Ink and Microelectronic Printing
• Drying of Complex Dairy Fluids
• Drying of Human Blood Drops
• Drying Processes in the Formation of Bloodstains at Crime Scenes
• Evaporation and Precipitation Dynamics of a Respiratory Droplet
• Spreading and Drying of Drops and Art
• Nanofluid Droplets Drying on Structured Surfaces and Evaporative Self-assembly.
• (source: Nielsen Book Data)

Coffee rings, paint drying, blood splatter are all examples of complex fluids drying. Understanding the phenomena of complex fluid drops with respect to drying is important for technology and a lot of research in academia and industry is poured into this topic. This book addresses this industrially important area and provides a thorough grounding to the field. Addressing the fundamental underpinnings of wetting, spreading and drying, the book then takes the reader through key applications grouped into themes, including colloidal droplets (used in printing) and biological (e.g. bloodstain analysis for forensics). With a section on modelling and simulation to balance experiment with computational tools, this book will appeal to anyone working in complex fluids across classical fluid mechanics, soft matter, and chemical, biological and mechanical engineering.
(source: Nielsen Book Data)

• 1. Introduction.-
• 2. Synthesis and Processing Strategies.-
• 3. Properties of MXene.-
• 4. Composites of MXene.
• (source: Nielsen Book Data)

This book presents the fundamental aspects, recent developments in fabrication and characterization techniques, structure, properties, and emerging applications of MXenes. It shows the advancement in scale-up, challenges, and their futuristic perspectives. An overview of all the latest developments in energy storage and conversion applications, catalysis, environmental remediation, and radiation shielding, etc is reported. .
(source: Nielsen Book Data)

• Introduction: basic concept of boron and its physical and chemical properties Applications of boron compounds in catalysis Boron-containing small molecules as antiparasitic agents Boron materials for energy applications Nanovehicles and boron clusters The serendipitous integration of small boron-embedded molecules into medicinal chemistry.
• (source: Nielsen Book Data)

Fundamentals and Applications of Boron Chemistry highlights its impressive potential for current and future developments across a range of fields, providing foundational information on boron chemistry and systematically summarizing applications of boron in energy, medicinal chemistry, and materials chemistry. Beginning with an introduction to boron chemistry which outlines the boron element and its physical and chemical properties, this book goes on to discuss advances in boron coordination chemistry, before delving deeper into key fields of application. The latest developments in boron-based catalysts in organic reactions are reviewed, followed by novel emerging boron-containing materials and their potential applications in areas such as hydrogen storage, and boron materials with special optical activity. Finally, advance boron-based drugs and therapies are explored. This book fills the current market gap, systematically summarizing developments and applications of boron in energy, medicinal chemistry, and materials chemistry in a single, accessible volume. It is a valuable reference for chemists, students, and researchers in relative areas.
(source: Nielsen Book Data)

Fundamentals of Supramolecular Chirality is a critical description of the start and advancement of supramolecular chirality. This book focuses on the noncovalent approach with some supplementary examples of covalent supramolecular chirality.This contribution to supramolecular chirality is not intended to be a mere catalogue and description of the work done. It also traces a philosophical path following the development and possible perspectives of this topic, providing not a review but a critical examination of the field.
(source: Nielsen Book Data)

• Chapter-1: BASIC CONCEPTS
• 1.1 Nuclear Spin and Magnetic Moments
• 1.2 Nuclear Spins in a Magnetic Field
• 1.3 Spin Lattice Relaxation
• 1.4 Spin temperature
• 1.5 Resonance Absorption of Energy and The NMR Experiment
• 1.5.1. The basic NMR spectrometer
• 1.6 Kinetics of Resonance Absorption
• 1.7 Selection Rules
• 1.8 Line widths
• 1.9 Bloch equations
• 1.10 More about relaxation
• 1.11 Sensitivity
• EXERCISES
• CHAPTER 2: HIGH RESOLUTION NMR SPECTRA OF MOLECULES
• 2.1 Introduction
• 2.2 Chemical Shift
• 2.2.1 Anisotropy of chemical shifts
• 2.2.2 Factors Influencing Isotropic Chemical shifts
• 2.3 Spin-Spin Coupling
• 2.4 Analysis of NMR spectra of molecules
• 2.4.1 First Order Analysis
• 2.4.2 Quantum Mechanical Analysis
• 2.5 Dynamic Effects in the NMR spectra
• 2.5.1 Two site Chemical Exchange
• 2.5.2. Collapse of spin multiplets
• 2.5.3 Conformational Averaging of J- values
• EXERCISES
• CHAPTER 3: FOURIER TRANSFORM NMR
• 3.1 Introduction
• 3.2 Principles of Fourier transform NMR
• 3.3 Theorems on Fourier transforms
• 3.4 The FTNMR Spectrometer
• 3.5. Practical aspects of recording FTNMR spectra
• 3.5.1. Carrier Frequency and off-set
• 3.5.2. RF pulse
• 3.5.3. Free Induction Decay (FID) and the spectrum
• 3.5.4. Single channel and quadrature detection
• 3.5.5. Signal digitization and sampling
• 3.5.6. Folding of signals
• 3.5.7. Acquisition time and the resolution
• 3.5.8. Signal averaging and Pulse repetition rate
• 3.6. Data processing in FT NMR
• 3.6.1. Zero filling
• 3.6.2. Digital filtration or window multiplication or apodization
• 3.7 Phase correction
• 3.8. Dynamic range in FTNMR
• 3.9. Spin-echo
• 3.10. Measurement of relaxation times
• 3.10.1. Measurement of relaxation time
• 3.10.2. Measurement of relaxation time
• 3.11. Water suppression through spin-echo: Watergate
• 3.12 Spin decoupling
• 3.13 Broad band decoupling
• 3.14 Biliniear Rotational Decoupling (BIRD)
• EXERCISES
• CHAPTER 4: POLARIZATION TRANSFER
• 4.1 Introduction
• 4.2 Experimental Schemes
• 4.3 Origin of NOE
• 4.3.1 A simplified treatment
• 4.3.2 A more rigorous treatment
• 4.4 Steady state NOE
• 4.5 Transient NOE
• 4.6. Selective population inversion
• 4.7. INEPT
• 4.7.1. Disadvantages of INEPT
• 4.8 Refocused INEPT
• 4.9 DEPT
• EXERCISES
• CHAPTER 5: Density matrix description of NMR
• 5.1 Introduction
• 5.2 Density matrix
• 5.3 Elements of Density Matrix
• 5.4. Time evolution of density operator
• 5.5. Matrix representations of RF pulses
• 5.6. Product Operator Formalism
• 5.6.1. Basis operator sets
• 5.6.2. Time-evolution of Cartesian Basis Operators
• 5.6.2.1 Free evolution under the influence of the Hamiltonian
• 5.6.2.2 Chemical Shift evolution
• 5.6.2.3 Scalar coupling evolution
• 5.6.2.4 Rotation by pulses
• 5.6.2.5 Calculation of the spectrum of J-coupled two spin system
• EXERCISES
• Chapter 6: Multidimensional NMR Spectroscopy
• 6.1 Segmentation of the time axis
• 6.2 Two dimensional NMR
• 6.3 Two-dimensional Fourier Transformation in NMR
• 6.4 Peak shapes in 2D spectrum
• 6.5 Quadrature detection in two-dimensional NMR
• 6.6 Types of 2D-NMR spectra
• 6.6.1 2D- resolution/ separation experiments
• 6.6.2. Two-dimensional correlation experiments
• 6.6.2.1 The COSY experiment
• 6.6.2.1.1 COSY of two-spins
• 6.6.2.1.2 COSY of three-spins
• 6.6.2.1.3 Disadvantages of COSY
• 6.6.2.2 Double-Quantum Filtered COSY (DQF-COSY)
• 6.6.2.3 Total Correlation Spectroscopy (TOCSY)
• 6.6.2.4 Two-dimensional Nuclear Overhauser Effect spectroscopy (2D-NOESY)
• 6.6.2.5 Two-dimensional ROESY
• 6.6.3 Two-dimensional heteronuclear correlation experiments
• 6.6.3.1 Heteronuclear COSY
• 6.6.3.2 Heteronuclear Multiple Bond Correlation (HMBC)
• 6.6.3.3 Combination of mixing sequences
• 6.7 Three dimensional NMR
• 6.7.1 The CT-HNCA experiment
• 6.7.2 The HNN experiment
• 6.7.3 The constant-time HN(CO)CA experiment
• 6.7.4 The HN(C)N experiment
• EXERCISES
• APPENDIX
• A1. Hamiltonian of dipole-dipole interaction
• A2. Chemical Shift Anisotropy
• A3. Solid state NMR: basic features
• A4. Coherence selection by linear Field Gradients
• A5. Pure shift NMR: ZS and PSYCHE methods
• A6. HADAMARD NMR for selective excitation
• .
• (source: Nielsen Book Data)

This textbook is designed for graduate students to introduce the basic concepts of Nuclear Magnetic Resonance spectroscopy (NMR), spectral analysis and modern developments such as multidimensional NMR, in reasonable detail and rigor. The book is self-contained, so, a unique textbook in that sense with end of chapter exercises included supported by a solution manual. Some of the advanced topics are included as Appendices for quick reference. Students of chemistry who have some exposure to mathematics and physics will benefit from this book and it will prepare them to pursue research in different branches of Chemistry or Biophysics or Structural Biology. .
(source: Nielsen Book Data)

• Part 1. Basic principles 1. Introduction in photocatalysis and electrocatalysis 2. Graphene oxide: Synthesis, properties and applications
• Part 2. Graphene Oxide-Based Composites in Photocatalysis 3. Graphene oxide-based photocatalysts for H2 production 4. Graphene oxide-based photocatalysts for CO2 reduction 5. Graphene oxide-based photocatalysts for environmental purification 6. Graphene oxide-based heterojunction photocatalysts
• Part 3. Graphene Oxide-Based Composites in Electrocatalysis 7. Graphene oxide-based materials in electrocatalysis 8. Graphene oxide-based modified electrodes for high-performance supercapacitors 9. Graphene oxide-based modified electrodes for lithium-ion batteries.
• (source: Nielsen Book Data)

Graphene Oxide-Metal Oxide and other Graphene Oxide-Based Composites in Photocatalysis and Electrocatalysis reflects on recent progress and challenges in graphene-metal oxide composites. The book reviews synthetic strategies, characterization methods and applications in photocatalysis and electrocatalysis. Graphene-metal oxides, graphene-novel metals and other composites intended for sustainable energy production, energy storage, and environmental development such as H2 production, CO2 reduction, pollutant removal, supercapacitors and lithium ion batteries are covered. Overall, this book presents a comprehensive, systematic, and up-to-date summary on graphene oxide-based materials. Graphene oxide and related composite materials bring new perspectives and prospects to both photocatalysts and electrocatalysts. The collective and synergistic effect between graphene oxide and metal oxide are manifold. The significance of the relationship among these groups of materials, their structures and performance is emphasized.
(source: Nielsen Book Data)

• Photocatalysis: Introduction, Mechanism, and Effective Parameters.- Optimization of process, Mechanism and Kinetics study for Photocatalytic oxidation.- UV active photocatalytic material and their challenges.- Visible light active material for photocatalytic applications.- Novel visible active photocatalytic material: Doped materials and other new materials.- Hybridized Nanomaterials for enhancing Photocatalytic activity.- Laser-produced photocatalysts.- Graphene based Nanocomposites.- Polymeric material/nanocomposites for photocatalytic activity.- Carbon-Based Nanocomposites for Visible Light-Induced Photocatalysis.- Rare earth doped photocatalysts for enhanced photocatalytic reactions.- New photocatalytic materials based on nanodiamonds forming complexes with diphthalocyanines of rare earth elements.- Complexes of radachlorine with polyvinylpyrrolidone and nanodiamonds for singlet oxygen generation in aqueous media.- Role of Metal Nanoparticles on Nanocomposites for Visible Light-active photocatalysis.- Natural Sensitizers for photocatalytic activity.- Role of Surface oxygen vacancy to enhance photocatalytic activity.- Immobilization of photocatalytic material on the suitable substrate.- Degradation of Organic Contaminants in Water using photocatalytic material.- Photocatalytic Removal of Metallic and Other Inorganic Pollutants.- Removal of Air-/Water-Pollution and Self-Cleaning/ Antibacterial Applications by photocatalysis.- Interface engineering of nano-photocatalysts for hydrogen evolution reaction.- Emerging Photocatalysts for Hydrogen production..- Electrocatalytic and photocatalytic water splitting.- Novel Solid Photocatalysts for Hydrogen Generation from Aqueous Phases.- Bandgap engineering of heterostructures for visible light driven water splitting.- Photocatalytic CO2 reduction.- Conclusions and Future work.
• (source: Nielsen Book Data)

This book comprises a detailed overview on the role of photocatalysts for environmental remediation, hydrogen production and carbon dioxide reduction. Effective ways to enhance the photocatalytic activity of the material via doping, hybrid material, laser light and nanocomposites have been discussed in this book. The book also further elaborates the role of metal nanoparticles, rare earth doping, sensitizers, surface oxygen vacancy, interface engineering and band gap engineering for enhancing the photocatalytic activity. An approach to recover the photocatalytic material via immobilization is also presented. This book brings to light much of the recent research in the development of such semiconductor photocatalytic systems. The book will thus be of relevance to researchers in the field of: material science, environmental science & technology, photocatalytic applications, newer methods of energy generation & conversion and industrial applications. .
(source: Nielsen Book Data)

• Chapter 1. Hemicelluloses role in biorefinery systems of cellulosic bioethanol, particleboard and, pulp and paper industries.-
• Chapter 2. Sustainable Biorefinery Processing for Hemicellulose Fractionation and Biobased Products in a Circular Bioeconomy.-
• Chapter 3. Production of hemicellulosic sugars from residual lignocellulosic biomass in an integrated small-scale biorefinery: techno-economic and life cycle assessments.-
• Chapter 4. Composition and chemical structure of hemicelluloses and polysaccharides with capability of gel formation.-
• Chapter 5. Analytical techniques applied to hemicellulose structure and functional characterization.-
• Chapter 6. Chemical modification strategies for developing functionalized hemicellulose: Advanced applications of modified hemicellulose.-
• Chapter 7. Enzymatic approach on the hemicellulose chain structural modification and the main enzymes production and purification.-
• Chapter 8. Hemicellulose application for the production of bioplastics and biomaterials.-
• Chapter 9. Oligosaccharides from lignocellulosic biomass and their biological and physicochemical properties.-
• Chapter 10. Advances and new perspectives in prebiotic, probiotic and symbiotic products for food nutrition and feed.-
• Chapter 11. Hemicellulose sugar fermentation: hydrolysate challenges, microorganisms, and value-added products.-
• Chapter 12. Production of Platform Chemicals and High Value Products from Hemicellulose.-
• Chapter 13. Synthesis of Furan Compounds from Hemicelluloses.-
• Chapter 14. Biomedical and pharmaceutical applications of xylan and its derivatives.-
• Chapter 15. Hemicellulose-based delivery systems: Focus on Pharmaceutical and Biomedical Applications.
• (source: Nielsen Book Data)

This edited book provides knowledge about hemicelluloses biorefinery approaching production life cycle, circular economy, and valorization by obtaining value-added bioproducts and bioenergy. A special focus is dedicated to chemical and biochemical compounds produced from the hemicelluloses derivatives platform. Hemicelluloses are polysaccharides located into plant cell wall, with diverse chemical structures and properties. It is the second most spread organic polymer on nature and found in vast lignocellulosic materials from agro and industrial wastes, therefore, hemicelluloses are considered as abundant and renewable raw material/feedstock. Biorefinery concept contributes to hemicelluloses production associated with biomass industrial processes. Hemicelluloses are alternative sources of sugars for renewable fuels and as platform for chemicals production. This book reviews chemical processes for sugar production and degradation, obtaining of intermediate and final products, and challenges for pentose fermentation. Aspects of hemicelluloses chain chemical and enzymatic modifications are presented with focus on physicochemical properties improvement for bioplastic and biomaterial approaches. Hemicelluloses are presented as sources for advanced materials in biomedical and pharmaceutical uses, and as hydrogel for chemical and medicine deliveries. An interdisciplinary approach is needed to cover all the processes involving hemicelluloses, its conversion into final and intermediate value-added compounds, and bioenergy production. Covering this context, this book is of interest to teachers, students, researchers, and scientists dedicated to biomass valorization. This book is a knowledge source of basic aspects to advanced processing and application for graduate students, particularly. Besides, the book serves as additional reading material for undergraduate students (from different courses) with a deep interest in biomass and waste conversion, valorization, and chemical products from hemicelluloses.
(source: Nielsen Book Data)

• Introduction to Catalysis
• Catalyst Materials
• Catalyst Materials: Methods of Preparation
• Factors Influencing Catalysis
• Important Mechanisms
• Catalyst Deactivation
• Trends in Heterogeneous Catalysis.

"Heterogeneous catalysis is one of the pillars of chemical and energy industries. As research on this important topic advances, heterogeneous catalysis will be a central science in driving the transition to their eventual carbon neutral operation due to the ease of separation and reusability. Readers interested in understanding the basics as well as modern trends in heterogeneous catalysis will benefit from Heterogeneous Catalysis."-- Provided by publisher.

• Part I: High-energy chemistry and processing of metals.-
• 1. Laser-induced bubble generation on excitation of gold nanoparticles.-
• 2. Metal and alloy nanoparticles formed by laser-induced nucleation method.-
• 3. Laser-induced reduction and particle formation of precious metal ions in a solution: Application to metal recovery.-
• 4. Synthesis of metal nano-particles induced by plasma-assisted electrolysis.-
• 5. Controllable surface modification of colloidal nanoparticles using laser ablation in liquids and its utilization.- Part II: High-energy processing of nonmetals.-
• 6. Fabrication and control of semiconductor random lasers using laser processing techniques.-
• 7. Formation mechanism of spherical submicrometer particles by pulsed laser melting in liquid.-
• 8. Mass production of spherical submicrometer particles by flow-style pulsed laser melting in liquid.-
• 9. Material processing for colloidal silicon quantum dot formation.-
• 10. Processing of transparent materials using laser-induced high-energy state in liquid.-
• 11. Functional nanomaterial and nanostructure synthesized by femtosecond laser pulses.-
• 12. Preparation of functional nanoparticles by laser process in liquid and their optical applications.- Part III: High-energy chemistry of nonmetals.-
• 13. Nanoscale transient laser heating and the related chemical process of organic solid.-
• 14. Fundamentals and applications of novel high-energy reaction fields by microwave chemistry.-
• 15. Study on the preparation and photocatalytic activity of the laser modified photocatalysis.-
• 16. Control of crystallization by intense focused laser beam.-
• 17. Electrocatalysts developed from ion-implanted carbon materials.-
• 18. Carbon nanoparticle production in plasma filaments generated by intense femtosecond laser pulses.
• (source: Nielsen Book Data)

This book focuses on chemical reactions and processing under extreme conditions-how materials react with highly concentrated active species and/or in a very confined high-temperature and high-pressure volume. Those ultimate reaction environments created by a focused laser beam, discharges, ion bombardments, or microwaves provide characteristic nano- and submicron-sized products and functional nanostructures. The book explores the chemistry and processing of metals and non-metals as well as molecules that are strongly dependent on the energy deposition processes and character of the materials. Descriptions of a wide range of topics are given from the perspective of a variety of research methodologies, material preparations, and applications. The reader is led to consider and review how a high-energy source interacts with materials, and what the key factors are that determine the quality and quantity of nanoproducts and nano-processing.
(source: Nielsen Book Data)

• Introduction
• PolyMOFs: Molecular Level Integration of MOFs and Polymers
• Polymers in Metal-Organic Frameworks: Synthesis, Recognition, and Hybrid Materials
• Metal-Organic Framework/Polymer Hybrid Materials
• Metal-Organic Frameworks/Polymer Composite Membranes
• Applications of Metal-Organic Frameworks/Polymer Hybrid Materials
• Covalent Organic Frameworks
• Emerging Covalent Organic Framework and Linear Polymer (COF-LP) Composites: Synthetic Approaches and Applications.
• (source: Nielsen Book Data)

Metal-organic frameworks (MOFs) are crystalline porous materials constructed from metal ions/clusters and organic linkers, combining the merits of both organic and inorganic components. Due to high porosity, rich functionalities, well-defined open channels and diverse structures, MOFs show great potentials in field such as gas storage and separation, catalysis, and sensing. Combining them with polymers tunes their chemical, mechanical, electrical and optical properties, and endows MOFs with processability. Covalent organic frameworks (COFs) are crystalline porous materials built from organic molecular units with diverse structures and applications. Hybrid materials with intriguing properties can be achieved by appropriate preparation methods and careful selection of MOFs/COFs and polymers, broadening their potential applications. This book documents the latest research progress in MOF/COF-polymer hybrid materials and reviews and summarises hybridization strategies to achieve MOF/COF polymeric composites. It also introduces various applications and potential applicable scenarios of hybrid MOF/COF polymers. Hybrid Metal-Organic Framework and Covalent Organic Framework Polymers offers an overview to readers who are new to this field, and will appeal to graduate students and researchers working on porous materials, polymers, hybrid materials, and supramolecular chemistry.
(source: Nielsen Book Data)

• Chapte
• r1. Hydrogen revolution.- Chapte
• r2. Hydrogen as energy carrier.- Chapte
• r3. Hydrogen in reduction processes.- Chapte
• r4. Hydrogen production from recycled gases.- Chapte
• r5. Hydrogen ironmaking.- Chapte
• r6. Hydrogen from electrolysis.- Chapte
• r7. Hydrogen direct reduced iron.- Chapte
• r8. Hydrogen plasma reduction.- Chapte
• r9. Flash ironmaking.- Chapte
• r10. Hydrogen economy.
• (source: Nielsen Book Data)

The book describes the main approaches to produce and synthesize iron and steel through hydrogen-based technologies. Depending on the processing route and on the energy demand, the best available techniques and the most forward-looking solutions are explained. The book is edited with the contribution representing a range of industries in order to evaluate the industrial feasibility of each selected technology. It presents the most efficient solutions applied by ironmaking and steelmaking factories all around the world. .
(source: Nielsen Book Data)

• Ion Mobility-Mass Spectrometry: an Overview
• Calculation of Momentum Transfer Cross-sections
• Fundamentals of Uniform-field Drift Tube Ion Mobility and Collision Cross Section
• Travelling Wave Ion Mobility Separation: Basics and Calibration
• Trapped Ion Mobility Spectrometry - Basics and Calibration
• Field Asymmetric Ion Mobility Spectrometry (FAIMS) for Advanced Mass Spectrometry
• Computational Approaches for Processing Native Ion Mobility-Mass Spectrometry Data
• CCS for Modelling 3D Structures
• Ion Spectroscopy Coupled to Ion Mobility-Mass Spectrometry
• Ion Mobility-Mass Spectrometry of Pharmaceuticals
• Ion Mobility Spectrometry in Mass Spectrometry Imaging
• Ion Mobility-Mass Spectrometry in Metabolomics Studies
• The Role of Ion Mobility for Antibody Characterisation: A Biopharmaceutical Perspective
• Insights into Membrane Protein Structure and Function by Means of Ion Mobility-Mass Spectrometry
• Conformational Characterisation of Biomolecules
• Advanced IM-MS-based Approaches for Protein Analysis: Collision-induced Unfolding (CIU) and Hyphenation of Liquid Chromatography to IM-MS
• Ion-Mobility-Mass Spectrometry of Nucleic Acids
• Glycomics and Ion Mobility--.
• (source: Nielsen Book Data)

Over the last decade, the use of ion mobility separation in combination with mass spectrometry analysis has developed significantly. This technique adds a unique extra dimension enabling the in-depth analysis of a wide range of complex samples in the areas of the chemical and biological sciences. Providing a comprehensive guide to the technique, each chapter is written by an internationally recognised expert and with numerous different commercial platforms to choose from, this book will help the end users understand the practicalities of using different instruments for different ion mobility purposes. The first section provides a detailed account of the fundamentals behind the technique and the current range of available instrumentation. The second section focusses on the wide range of applications that have benefitted from ion mobility - mass spectrometry and includes topics taken from current research in the pharmaceutical, metabolomics, glycomics, and structural molecular biology fields. The book is primarily aimed at researchers, appealing to practising chemists and biochemists, as well as those in the pharmaceutical and medical fields.
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• Intro
• Contents
• Foreword
• Acknowledgments
• Introduction
• Chapter 1. Lasers and Lathes
• Lasers in Glass Processing
• Illustration
• Chapter 2. Joseph Priestley a Man of the "Enlightenment"
• Chapter 3. Lycee Dorien, Glass Training School, Paris, France
• Presentation of the Scientific Glassblowing Department and the Students Programme
• Chapter 4. Where Scientific Glassblowing Is Trending and How Can We Adapt?
• Preface
• The golden age of scientific glassblowing: 1940s-1970s
• Fifty Years Later
• Advancements in Chemistry
• Combinatorial chemistry

• The Spin-Offs and the Patents
• Fruits of The Golden Age of Scientific Glassblowing: New Sciences, Innovations and Incentives
• The ASGS, More Important THAN Ever
• Chapter 5. Stealth & Hasty
• Chapter 6. Construction of a Ferrous-free Vacuum Cart for a 400MHz NMR
• Citation
• Background
• The Challenge
• Construction
• The Final Cart
• Conclusion
• Chapter 7. Radiometer XXL, Nothing Is Impossible!
• Chapter 8. Toepler Pump, the Rise and Fall Of
• Addendum: Word of the day "Toepler"
• Chapter 9. Calculation, Calibration and Hydrofluoric Acid Etching

• The Formula for Determining the Volume of a Cylinder
• Hydrofluoric Acid Etching
• Applying the resist for Hydrofluoric acid etching
• Etching
• Hydrofluoric acid
• Toxicity
• Hazards from fire or explosion
• Handling procedures
• Spills and leaks
• Emergency treatment
• Inhalation
• Eye contact
• Waste disposal
• Bibliography
• Chapter 10. The Life and Times of Otto Baumbach, Master Glassblower
• Prologue
• Introduction
• Germany
• Training and First Employment
• Scientific Glassblowing in Manchester
• Otto Arrives at Manchester
• Living and Working in Manchester

• Rutherford
• Some Scientific Endeavours
• A Tramload of Professors, 1913
• First World War
• The University Service Providers Move Out
• The Inter-War Years
• The Second World War and After
• Conclusion
• Acknowledgements
• Bibliography
• Chapter 11. Stephen Moehr: A Working Life
• Chapter 12. The Wherewithal
• Plasma Sculpture: The Art of Scientific Glassblowing
• Single electrode plasma sculpture
• The vacuum system
• Filling
• Gas mixture recipes: Single electrode plasma fill combinations
• Even simpler
• Gas mixture for electrode-free fills

• Chapter 13. Sealing in Frits in the Frosty North
• Chapter 14. Drawing on Experience: Two Methods for Holding/Manipulating Eccentric Shapes
• Box Shapes from Boro-glass Sheet
• The photos show
• Large-Scale "Semi-Tech" Plant Glassware
• The manufacturing process
• Chapter 15. Reinhold Burger X-Ray, Dewar or the Thermos
• Independence Learned in America
• The Thermos Bottle Patent
• Imperial Patent Office
• Science and Medicine
• Imperial Patent Office
• Chapter 16. Pull the Glass with the Flame
• Chapter 17. The Original Ebulliometer and the Discovery of Polythene

Related Title: Laboratory Scientific Glassblowing: A Practical Training MethodThis book pushes back the boundaries of Scientific Glassblowing, emphasizing the possibilities of the material.In addition to the author's own chapters, he has invited Scientific Glassblowers from around the world to describe advanced glassblowing techniques in addition to the historical background of its development.
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• 1. Five-membered N-heterocycle.-
• 2. Thiazole synthesis.-
• 3. Thiazole synthesis by thionation of C=O to C=S.-
• 4. Thiadiazole synthesis.-
• 5. Five-membered S-heterocycle synthesis.-
• 6. S-Heterocycle synthesis.-
• 7. O- and N-Heterocycles synthesis.-
• 8. Phosphorus pentasulfide in heterocycle synthesis. .
• (source: Nielsen Book Data)

This book focuses on the new and old methods for the synthesis of various heterocycles using Lawesson's reagent. The book covers an important and rapidly growing branch of heterocyclic chemistry and can serve as a guide to those who are completing their education and are about to enter the job market. Students will be able to find all Lawesson's reagent-assisted protocols for the synthesis of heterocycles in one place. This feature of the book provides an important benefit, because sometimes users want to see all the possibilities and relevant information for making a particular compound using one particular reagent. The purpose of this valuable resource is to provide the knowledge not only to students but also to pharmacologists, biochemists, organic and medicinal chemists, researchers, and academic professionals for easy access to synthetic protocols for different heterocycles using Lawesson's reagent. The book will be greatly helpful for everyone involved in the field and can pave the way for better understanding and quantification of heterocycle synthesis.
(source: Nielsen Book Data)

• Preface. 1. Phases and mesophases
• 2. Phase transitions
• 3. Order parameters
• 4. Distributions
• 5. Particle-particle interactions
• 6. Dynamics
• 7. Molecular theories
• 8. Monte Carlo
• 9. Molecular dynamics
• 10. Lattice models
• 11. Molecular simulations
• 12. Atomistic simulations. Appendices. References. Subject index.
• (source: Nielsen Book Data)

Standing as the first unified textbook on the subject, Liquid Crystals and Their Computer Simulations provides a comprehensive and up-to-date treatment of liquid crystals and of their Monte Carlo and molecular dynamics computer simulations. Liquid crystals have a complex physical nature, and, therefore, computer simulations are a key element of research in this field. This modern text develops a uniform formalism for addressing various spectroscopic techniques and other experimental methods for studying phase transitions of liquid crystals, and emphasises the links between their molecular organisation and observable static and dynamic properties. Aided by the inclusion of a set of Appendices containing detailed mathematical background and derivations, this book is accessible to a broad and multidisciplinary audience. Primarily intended for graduate students and academic researchers, it is also an invaluable reference for industrial researchers working on the development of liquid crystal display technology.
(source: Nielsen Book Data)

• List of Contributors vii Preface ix
• 1 Redox Equilibria: From Basic Concepts to the Magmatic Realm 1 Roberto Moretti and Daniel R. Neuville Part I: Redox from the Earth's Accretion to Global Geodynamics 19
• 2 Redox Processes Before, During, and After Earth's Accretion Affecting the Deep Carbon Cycle 21 Vincenzo Stagno and Sonja Aulbach
• 3 Oxygen Fugacity Across Tectonic Settings 33 Elizabeth Cottrell, Suzanne K. Birner, Maryjo Brounce, Fred A. Davis, Laura E. Waters, and Katherine A. Kelley
• 4 Redox Variables and Mechanisms in Subduction Magmatism and Volcanism 63 Katy A. Evans and Andy G. Tomkins
• 5 Redox Melting in the Mantle 93 Stephen F. Foley Part II: Redox at Work: From Magma Sources to Volcanic Phenomena 115
• 6 Ionic Syntax and Equilibrium Approach to Redox Exchanges in Melts: Basic Concepts and the Case of Iron and Sulfur in Degassing Magmas 117 Roberto Moretti
• 7 The Petrological Consequences of the Estimated Oxidation State of Primitive MORB Glass 139 Paul D. Asimow
• 8 Oxygen Content, Oxygen Fugacity, the Oxidation State of Iron, and Mid-Ocean Ridge Basalts 155 Andrew J. Berry and Hugh St.C. O'Neill
• 9 Chromium Redox Systematics in Basaltic Liquids and Olivine 165 Aaron S. Bell
• 10 The Thermodynamic Controls on Sulfide Saturation in Silicate Melts with Application to Ocean Floor Basalts 177 Hugh St.C. O'Neill
• 11 Redox State of Volatiles and Their Relationships with Iron in Silicate Melts: Implications for Magma Degassing 215 Nicole Metrich
• 12 Iron in Silicate Glasses and Melts: Implications for Volcanological Processes 233 Charles Le Losq, Maria Rita Cicconi, and Daniel R. Neuville Part III: Tools and Techniques to Characterize the Redox and its Effect on Isotope Partitioning 255
• 13 How to Measure the Oxidation State of Multivalent Elements in Minerals, Glasses, and Melts? 257 Daniel R. Neuville, Maria Rita Cicconi, and Charles Le Losq
• 14 Oxidation State, Coordination, and Covalency Controls on Iron Isotopic Fractionation in Earth's Mantle and Crust: Insights from First-Principles Calculations and NRIXS Spectroscopy 283 Marc Blanchard and Nicolas Dauphas
• 15 The Role of Redox Processes in Determining the Iron Isotope Compositions of Minerals, Melts, and Fluids 303 Paolo A. Sossi and Baptiste Debret
• 16 Zinc and Copper Isotopes as Tracers of Redox Processes 331 Edward C. Inglis and Frederic Moynier
• 17 Mineral-Melt Partitioning of Redox-Sensitive Elements 345 Guilherme Mallmann, Antony D. Burnham, and Raul O.C. Fonseca
• 18 Titanomagnetite - Silicate Melt Oxybarometry 369 Robert Arato and Andreas Audetat
• 19 The Redox Behavior of Rare Earth Elements 381 Maria Rita Cicconi, Charles Le Losq, Grant S. Henderson, and Daniel R. Neuville Index 399.
• (source: Nielsen Book Data)

Explores the many facets of redox exchanges that drive magma's behavior and evolution, from the origin of the Earth until today The redox state is one of the master variables behind the Earth's forming processes, which at depth concern magma as the major transport agent. Understanding redox exchanges in magmas is pivotal for reconstructing the history and compositional make-up of our planet, for exploring its mineral resources, and for monitoring and forecasting volcanic activity. Magma Redox Geochemistry describes the multiple facets of redox reactions in the magmatic realm and presents experimental results, theoretical approaches, and unconventional and novel techniques. Volume highlights include: Redox state and oxygen fugacity: so close, so far Redox processes from Earth's accretion to global geodynamics Redox evolution from the magma source to volcanic emissions Redox characterization of elements and their isotopes The American Geophysical Union promotes discovery in Earth and space science for the benefit of humanity. Its publications disseminate scientific knowledge and provide resources for researchers, students, and professionals.
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The elucidation of reaction mechanisms generally requires the carefully designed control of molecular symmetry to distinguish between the many possible reaction pathways. Making and Breaking Symmetry in Chemistry emphasises the crucial role played by symmetry in modern synthetic chemistry. After discussion of a number of famous classical experiments, the advances brought about by the introduction of new techniques, in particular NMR spectroscopy, are exemplified in numerous cases taken from the recent literature. Experimental verification of many of the predictions made in Woodward and Hoffmann's explication of the Conservation of Orbital Symmetry are described. Applications that involve the breaking of molecular symmetry to resolve these and other mechanistic problems in organic, inorganic and organometallic chemistry are presented in the first sections of the book, together with many examples of the detection of hitherto hidden rearrangement processes.Subsequently, under the aegis of making molecular symmetry, examples of the preparation of highly symmetrical molecules found in the organic, organometallic or inorganic domains are discussed. These include Platonic hydrocarbons or boranes, tetrahedranes, cubanes, prismanes, dodecahedrane, fullerene fragments such as corannulene, sumanene or semibuckminsterfullerene, and other systems of unusual geometries or bonding characteristics (Moebius strips, molecular brakes and gears, Chauvin's carbomers, Fitjer's rotanes, persubstituted rings, metal-metal multiple bonds, etc.). The text also contains vignettes of many of the scientists who made these major advances, as well as short sections that briefly summarise key features of important topics that underpin the more descriptive material. These include some aspects of chirality, NMR spectroscopy, and the use of isotopic substitution to break molecular symmetry. A brief appendix on point group symmetry and nomenclature is also helpfully provided.
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• MOFs as Catalysts: Introduction and Prospects.
• Stability of MOFs and kinetics of MOF-catalyzed reactions.
• Strategies for the Synthesis and functionalization of MOFs
• Characterization techniques of MOFs
• Reactions catalyzed by MOFs and prospects for applications.
• MOFs as Catalysts for CO2 capture and fixation.
• Covalent organic frameworks as catalysts.
• MOFs as Heterogeneous Catalysts
• MOFs as Sensors.
• MOFs as Catalysts for the capture and degradation of chemical warfare agents.
• Chiral MOFs for Asymmetric catalysis.
• MOFs as Catalysts for the storage of methane.
• Photocatalysis by MOFs.
• Role of MOFs in Bio-catalysis.
• MOFs encapsulated metal nanoparticles as catalysts
• Conclusions and Future perspectives of MOFs as Catalysts.
• (source: Nielsen Book Data)

This book highlights the state-of-the-art research and discovery in the use of MOFs in catalysis, highlighting the scope to which these novel materials have been incorporated by the community. It provides an exceptional insight into the strategies for the synthesis and functionalization of MOFs, their use as CO2 and chemical warfare agents capture, their role in bio-catalysis and applications in photocatalysis, asymmetric catalysis, nano-catalysis, etc. This book will also emphasize the challenges with previous signs of progress and way for further research, details relating to the current pioneering technology, and future perspectives with a multidisciplinary approach. Furthermore, it presents up-to-date information on the economics, toxicity, and regulations related to these novel materials.
(source: Nielsen Book Data)

• PART 1: FUNDAMENTALS 1. Miniaturization: An Introduction to Miniaturized Analytical Devices 2. Nanosensors and Nanodevices for Miniaturized Analysis 3. Spectrometric Miniaturized Instruments 4. Separation Miniaturized Instruments 5. Imaging Miniaturized Instruments 6. Electrochemical Miniaturized Instruments 7. Biosensing and Target Isolation 8. Biomotor-Driven Sensing 9. Motion-Based Signal Transduction 10. Flow Injection/Sequential Injection devices 11. Lab-on-a-Chip Miniaturized Analytical Devices 12. Smartphone Enabled Miniaturized Analytical Devices
• PART 2: APPLICATIONS OF MOBILE DEVICES IN MINIATURIZED ANALYSIS 13. Introduction to the Mobile Devices for Miniaturized Analysis 14. Health Care Applications 15. Biomedical Applications 16. Environmental Applications 17. Quality Control Applications 18. Security/Defense Applications 19. Future Perspectives.
• (source: Nielsen Book Data)

Micro- and Nanotechnology Enabled Applications for Portable Miniaturized Analytical Systems outlines the basic principles of miniaturized analytical devices, such as spectrometric, separation, imaging and electrochemical miniaturized instruments. Concepts such as smartphone-enabled miniaturized detection systems and micro/nanomachines are also reviewed. Subsequent chapters explore the emerging application of these mobile devices for miniaturized analysis in various fields, including medicine and biomedicine, environmental chemistry, food chemistry, and forensic chemistry. This is an important reference source for materials scientists and engineers wanting to understand how miniaturization techniques are being used to create a range of efficient, sustainable electronic and optical devices. Miniaturization describes the concept of manufacturing increasingly smaller mechanical, optical, and electronic products and devices. These smaller instruments can be used to produce micro- and nanoscale components required for analytical procedures. A variety of micro/nanoscale materials have been synthesized and used in analytical procedures, such as sensing materials, sorbents, adsorbents, catalysts, and reactors. The miniaturization of analytical instruments can be applied to the different steps of analytical procedures, such as sample preparation, analytical separation, and detection, reducing the total cost of manufacturing the instruments and the needed reagents and organic solvents.
(source: Nielsen Book Data)

• Introduction.- Notation and symbols.- Introduction.- The role of shear deformation in the sensing response of ionic polymer metal composites.
• (source: Nielsen Book Data)

This book presents a novel continuum finite deformation framework addressing the complex interactions among electrostatics, species transport, and mechanics in solid networks immersed in a fluid phase of solvent and ions. Grounded on cutting-edge multiphysics theories for soft active materials, the proposed model is primarily applied to ionic polymer metal composites (IPMCs). First, the influence of shear deformation on the IPMC response is analyzed through semi-analytical solutions obtained via the method of matched asymptotic expansions. Second, the novel electrochemo-poromechanical theory is used to predict the curvature relaxation and electric discharge that are observed in IPMC actuation and sensing, respectively, under a sustained stimulus. This newly formulated theory is, in turn, applied to biological cell clusters. Here, important mechanical considerations are integrated into classical bioelectrical models, thus offering novel insights into the interplay of mechanical and electrical signaling in the coordination of developmental processes. .
(source: Nielsen Book Data)

• Heterocycles as Inputs in MCRs : An Update / Ouldouz Ghashghaei, Marina Pedrola, Carmen Escolano, Rodolfo Lavilla
• Heterocycles and Multicomponent Polymerizations / Susan Sieben, Jordy M Saya, Dean Johnson, Romano VA Orru
• Multicomponent Reactions in Medicinal Chemistry / Zefeng Wang, Alexander Domling
• Solid-Phase Heterocycle Synthesis Using Multicomponent Reactions / Leonardo G Ceballos, Daylin F Pacheco, Bernhard Westermann, Daniel G Rivera
• Green Synthesis of Heterocycles Via MCRs / Wei Zhang
• The Use of Flow Chemistry in the Multicomponent Synthesis of Heterocycles / Chiara Lambruschini, Lisa Moni, Andrea Basso
• C-H Functionalization as an Imperative Tool Toward Multicomponent Synthesis and Modification of Heterocycles / Alexey A Festa, Leonid G Voskressensky
• Multicomponent-Switched Reactions in Synthesis of Heterocycles / Valentyn A Chebanov, Serhiy M Desenko, Victoria V Lipson, Nikolay Yu Gorobets
• Recent Applications of Multicomponent Reactions Toward Heterocyclic Drug Discovery / Nathan Bedard, Alessandra Fistrovich, Kevin Schofield, Arthur Shaw, Christopher Hulme
• Multicomponent Syntheses of Heterocycles by Catalytic Generation of Alkynoyl Intermediates / Jonas Niedballa, Thomas JJ Mller
• Synthesis of Saturated Heterocycles via Multicomponent Reactions / Carlos KZ Andrade, Carlos EM Salvador, Thaissa PF Rosalba, Luclia ZA Correa, Luan A Martinho, Yuri RB Sousa
• Multicomponent Reactions and Asymmetric Catalysis / Melody E Botius, Eelco Ruijter
• Recent Trends in Metal-catalyzed MCRs Toward Heterocycles / Lilia Fuentes-Morales, Luis D Miranda.

• Technological advances in remote collaborations.- MLatom
• 2: An Integrative Platform for Atomistic Machine Learning.- Reaction Space Projector (ReSPer) for Visualizing Dynamic Reaction Routes based on Reduced-Dimension Space.- NAST: Nonadiabatic statistical theory package for predicting kinetics of spin-dependent processes.- Evolution of the Automatic Rhodopsin Modeling (ARM) protocol.- Coupled- and independent-trajectory approaches based on the exact factorization using the PyUNIxMD package.- The Static-Dynamic-Static Family of Methods for Strongly Correlated Electrons: Methodology and Benchmarking.- Ensemble Density Functional Theory of Neutral and Charged Excitations.
• (source: Nielsen Book Data)

This volume presents the current status of software development in the field of computational and theoretical chemistry and gives an overview of the emerging trends. The challenges of maintaining the legacy codes and their adaptation to the rapidly growing hardware capabilities and the new programming environments are surveyed in a series of topical reviews written by the core developers and maintainers of the popular quantum chemistry and molecular dynamics programs. Special emphasis is given to new computational methodologies and practical aspects of their implementation and application in the computational chemistry codes. Modularity of the computational chemistry software is an emerging concept that enables to bypass the development and maintenance bottleneck of the legacy software and to customize the software using the best available computational procedures implemented in the form of self-contained modules. Perspectives on modular design of the computer programs for modeling molecular electronic structure, non-adiabatic dynamics, kinetics, as well as for data visualization are presented by the researchers actively working in the field of software development and application. This volume is of interest to quantum and computational chemists as well as experimental chemists actively using and developing computational software for their research. Chapters "MLatom 2: An Integrative Platform for Atomistic Machine Learning" and "Evolution of the Automatic Rhodopsin Modeling (ARM) Protocol" are available open access under a CC BY 4.0 License via link.springer.com.
(source: Nielsen Book Data)

• Chapter 1: A Fundamental Overview
• Chapter 2: Nanostructures Fabricated by Physical Techniques
• Chapter 3: Nanomaterials for safe and sustainable Environment: Realm of Wonders
• Chapter 4: Understanding the Physics of Photocatalytic Phenomenon
• Chapter 5: Role of Metal Oxide/ Sulphide/carbon Based Nanomaterials in Photocatalysis
• Chapter 6: Plasmonic Photocatalysts and Their Applications
• Chapter 7: Challenges and Future Prospects

This book explains the basic and fundamental aspects of nanotechnology and the potential use of nanostructured photocatalysts in various applications, especially in the context of the environment and energy harvesting. It describes the preparation and characterization of unique nanostructured photocatalysts and provides details of their catalytic action, and also discusses the design of new types of photocatalysts with controlled nanostructures. Given its broad scope, the book will appeal to academic and industrial researchers interested in heterogeneous photocatalysis, sustainable chemistry, energy conversion and storage, nanotechnology, chemical engineering, environmental protection, optoelectronics, sensors and surface and interface science.
(source: Nielsen Book Data)

This book is a graphic introduction to how chemistry developed, from ancient times to now. Led by cartoon host, Ben Zene - with occasional interjections by eccentric Greek philosopher Democritus - readers learn about ancient Greek and Chinese elements, alchemists, and the development of chemistry as we know it today, from Robert Boyle and Antoine Lavoisier, from Elizabeth Fulhame and John Dalton, to Joens Jakob Berzelius and Friedrich Woehler, to Rosalind Franklin, Linus Pauling, and Mario Molina. The book delves into topics like nanochemistry, environmental chemistry, and how the structure of atoms and molecules was uncovered, all with good humor, bright colors, and lively drawings. There are occasional sidebars on chemical-related history and the arts, and factoids such as how President of the USA Herbert Hoover and President of Israel Chaim Weizmann influenced chemistry, how personal politics may have denied Gilbert Lewis the Nobel Prize, a Japanese tale of intrigue mingling with chemistry, and which chemist was the first living person to have an element named for him.
(source: Nielsen Book Data)

• 1. Oxygen Reduction Reaction in Nature and its Importance in Life
• 2. Oxygen Reduction Reaction by Metalloporphyrins
• 3. Oxygen Reduction Reaction by Metallocorroles and Metallophthalocyanines
• 4. Oxygen Reduction Reaction by Metal Complexes containing Non-Macrocyclic Ligands
• 5. Oxygen Reduction Reaction by Noble Metal-Based Catalysts
• 6. Oxygen Reduction Reaction by Non-Noble Metal-Based Catalysts
• 7. Oxygen Reduction Reaction by Metal-Free Catalysts
• 8. Oxygen Reduction Reaction in Hydrogen Fuel Cells
• 9. Oxygen Reduction Reaction in Methanol Fuel Cells
• 10. Oxygen Reduction Reaction in Ethanol Fuel Cells
• 11. Oxygen Reduction Reaction in Solid Oxide Fuel Cells
• 12. Oxygen Reduction Reaction in Enzymatic Biofuel Cells
• 13. Oxygen Reduction Reaction in Lithium-Air Batteries.
• (source: Nielsen Book Data)

Oxygen Reduction Reaction: Fundamentals, Materials and Applications covers the design, synthesis and performance efficacies of the entire spectrum of oxygen reduction catalysts, extrapolating down to their applications in practical, alternative, renewable energy devices. Catalysts covered include heme inspired iron-based, heme inspired non-iron-based, non-heme-based, noble metal-based, non-noble metal-based and metal-free homogeneous and heterogeneous catalysts. The book contains critical analyses and opinions from experts around the world, making it of interest to scientists, engineers, industrialists, entrepreneurs and students.
(source: Nielsen Book Data)