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Book
1 online resource (301 p.) : ill. (some col.)
"A compilation of wonderful tributes to the late Ahmed Zewail (1946-2016), considered the 'Father of Femtochemistry', a long-standing icon in the field of physical chemistry, and the father of ultrafast electron-based methods. The book contains testimonies by friends and relatives of Zewail and by outstanding scientists from around the world who worked or have been affiliated with the Nobel prizewinning professor. Each contribution describes the author's own unique experience and personal relationship with Zewail, and includes details of his scientific achievements and the stories around them. Personal and Scientific Reminiscences collects accounts from the most important individuals in the physical and chemical sciences to give us a unique insight into the world and work of one of the great scientists of our time."--Publisher's website.
Book
1 online resource.
  • List of Contributors Volume 162 ix Preface to the Series xi Electronic Structure and Dynamics of Singlet Fission in Organic Molecules and Crystals 1Timothy C. Berkelbach An Approach to Quantumness in Coherent Control 39Torsten Scholak and Paul Brumer Energetic and Nanostructural Design of Small-Molecular-Type Organic Solar Cells 137Masahiro Hiramoto Single Molecule Data Analysis: An Introduction 205Meysam Tavakoli, J. Nicholas Taylor, Chun-Biu Li, Tamiki Komatsuzaki, and Steve Presse Chemistry with Controlled Ions 307Stefan Willitsch Index 341.
  • (source: Nielsen Book Data)9781119324577 20171106
The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. This is the only series of volumes available that presents the cutting edge of research in chemical physics. Includes contributions from experts in this field of research. Contains a representative cross-section of research that questions established thinking on chemical solutions Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics.
(source: Nielsen Book Data)9781119324577 20171106
Book
425 pages ; cm.
  • Smart Polymers: A Smart Approach to Life Ajith James Jose, Mekha Susan Rajan, Anjalipriya S, and Sam John An Assessment on Polymer Electrolyte Membrane (PEM) Fuel Cell Stack Components Arunkumar Jayakumar Theoretical Studies on Molecular Designing of Novel Electrically Conducting Polymers Using Genetic Algorithm Vinita Kapoor Spectral Tuning of P3HT/PTCDA Bulk Hetero P-N Junction Blend for Plastic Solar Cell Ishwar Naik, Rajashekhar Bhajantri, and Jagadish Naik Design Strategies of Polymer for High Performance Organic Photovoltaics Meha J. Prajapati and Kiran R. Surati An Overview on Li-S Battery and Its Opportunities to Challenges Raghvendra Kumar Mishra and Sabu Thomas Density Clustering for Automatic Lesion Detection in Diabetic Retinopathy from Eye Background Images Carolina Travassos, Raquel Monteiro, Sara Pires de Oliveira, Carla Baptista, Francisco Carrilho, and Pedro Furtado Reflections on Artemisinin, Proposed Molecular Mechanism of Bioactivity and Resistance Francisco Torrens, Lucia Redondo, and Gloria Castellano Classification of Citrus: Principal Components, Cluster and Meta Analyses Francisco Torrens, a and Gloria Castellano Biodiversity and Conservation Anamika Singh and Rajeev Singh Advanced Oxidation Processes, Industrial Wastewater Treatment and Innovations of Environmental Chemistry: A Vision for the Future Sukanchan Palit Nickel Stearate Hydrosols for Hydrophobic Cellulose Cemal Ihsan Sofuoglu, Fatma Ustun, Burcu Alp, and Devrim Balkose Nano Zinc Borate as a Lubricant Additive Sevdiye Atakul Savrik , Burcu Alp, Fatma Ustun, and Devrim Balkose Diffusion of Copper Nitrate in Aqueous Solutions at 298.15 K Luis M. P. Verissimo, Ana M. T. D. P. V. Cabral, Francisco J. B. Veiga, Miguel A. Esteso, and Ana C. F. Ribeiro A Critical Overview of Application of Evolutionary Computation in Designing Petroleum Refining Units: A Vision for the Future Sukanchan Palit Mathematical Model of Centrifugal Sedimentation of Corpuscles in a Cyclonic Deduster R. R. Usmanova and G. E. Zaikov Macromolecules Visualization Through Bioinformatics: an Emerging Tools of Informatics Heru Susanto and Ching Kang Chen Informatics Approach and Its Impact for Bioscience: Making Sense of Innovation Heru Susanto and Ching Kang Chen.
  • (source: Nielsen Book Data)9781351688888 20171218
Presenting illustrative case studies, highlighting technological applications, and explaining theoretical and foundational concepts, this book is an important reference source on the key concepts for modern technologies and optimization of new processes in physical chemistry. This volume combines up-to-date research findings and relevant theoretical frameworks on applied chemistry, materials, and chemical engineering. This new volume presents an up-to-date review of modern materials and chemistry concepts, issues, and recent advances in the field. Distinguished scientists and engineers from key institutions worldwide have contributed chapters that provide a deep analysis of their particular subjects. At the same time, each topic is framed within the context of a broader more multidisciplinary approach, demonstrating its relationship and interconnectedness to other areas. The premise of this book, therefore, is to offer both a comprehensive understanding of applied science and engineering as a whole and a thorough knowledge of individual subjects. This approach appropriately conveys the basic fundamentals, state-of-the-art technology, and applications of the involved disciplines, and further encourages scientific collaboration among researchers. This volume emphasizes the intersection of chemistry, math, physics, and the resulting applications across many disciplines of science and explores applied physical chemistry principles in specific areas, including the life chemistry, environmental sciences, geosciences, and materials sciences. The applications from these multidisciplinary fields illustrate methods that can be used to model physical processes, design new products and find solutions to challenging problems.
(source: Nielsen Book Data)9781351688888 20171218
Book
300 pages ; cm.
  • Introduction Theoretical Part Etching in Acidic Media Plasma Processes Laser Etching in Basic Media Anodization Electrodeposition Electroless Deposition Hydrothermal Processes Use of Nanoparticles Chemical Vapor Deposition Conclusion.
  • (source: Nielsen Book Data)9781315229614 20171218
Materials with superhydrophobic or related properties are one of the most studied subjects from a theoretical point of view and also for the large range of possible applications, for example, anticorrosion, antibacteria, optical devices, and sensors. The study of natural species with special wettability has shown us the importance of surface structures and the surface energy of the resulting surface properties. Various strategies can be used to reproduce superhydrophobic phenomena in the laboratory. General reviews on superhydrophobic properties already exist but, to our knowledge, do not focus on metallic and inorganic materials. Here, we focus especially on the strategies implemented for reaching superhydrophobic or related properties using metallic and inorganic materials. Indeed, these materials present unique properties, for example, thermal and mechanical resistance, chemical and ageing resistance, and optical (transparency, antireflection, photoluminescence) and electrical properties (conducting, semiconducting, insulating). This book will be useful for graduate students of materials chemistry and physics and for researchers in surface science, nanostructures, and bioinspired or biomimetic materials.
(source: Nielsen Book Data)9781315229614 20171218
Book
1 online resource : text file, PDF
  • Symmetry Point Groups Group Theory Matrices Character Tables Hybridization Molecular Orbital Theory Molecular Vibrations \Coordination Compounds and Others.
  • (source: Nielsen Book Data)9781771883986 20171218
As the structure and behavior of molecules and crystals depend on their different symmetries, group theory becomes an essential tool in many important areas of chemistry. It is a quite powerful theoretical tool to predict many basic as well as some characteristic properties of molecules. Whereas quantum mechanics provide solutions of some chemical problems on the basis of complicated mathematics, group theory puts forward these solutions in a very simplified and fascinating manner. Group theory has been successfully applied to many chemical problems. Students and teachers of chemical sciences have an invisible fear from this subject due to the difficulty with the mathematical jugglery. An active sixth dimension is required to understand the concept as well as to apply it to solve the problems of chemistry. This book avoids mathematical complications and presents group theory so that it is accessible to students as well as faculty and researchers. Chemical Applications of Symmetry and Group Theory discusses different applications to chemical problems with suitable examples. The book develops the concept of symmetry and group theory, representation of group, its applications to I.R. and Raman spectroscopy, U. V spectroscopy, bonding theories like molecular orbital theory, ligand field theory, hybridization, and more. Figures are included so that reader can visualize the symmetry, symmetry elements, and operations.
(source: Nielsen Book Data)9781771883986 20171218
Book
VII, 205 p. : online resource. Digital: text file; PDF.
  • Non-Conventional Lewis Acids and Bases in Frustrated Lewis Pair Chemistry.- Triphosphine Ligands: Coordination Chemistry and Recent Catalytic Applications.- Sigma Bonds as Ligand Donor sites in Transition Metal Complexes.- The Covalent Bond Classification Method and its Application to Compounds that Feature Three-Centre Two-Electron Bonds.- Co-ordination of Lewis acids to transition metals : Z-type ligands.
  • (source: Nielsen Book Data)9783319351452 20171211
The series Structure and Bonding publishes critical reviews on topics of research concerned with chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience. Thus each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years should be presented using selected examples to illustrate the principles discussed. A description of the physical basis of the experimental techniques that have been used to provide the primary data may also be appropriate, if it has not been covered in detail elsewhere. The coverage need not be exhaustive in data, but should rather be conceptual, concentrating on the new principles being developed that will allow the reader, who is not a specialist in the area covered, to understand the data presented. Discussion of possible future research directions in the area is welcomed. Review articles for the individual volumes are invited by the volume editors.
(source: Nielsen Book Data)9783319351452 20171211
Book
IX, 379 p. 150 ill., 50 illus. in color : online resource. Digital: text file; PDF.
  • Cooperative Effects in Clusters and Oligonuclear Complexes of Transition Metals in Isolation.- Quantum Chemical Investigations of Clusters of Heavy Metal Atoms.- Homoatomic Polyanions of the Early p-Block Elements.- Binary and Ternary Intermetalloid Clusters.- Metalloid Clusters.- Metal Oxido Clusters of Group 13-15 Elements.- Large Metal Chalcogenide Clusters and Their Ordered uperstructures via Solvothermal and Ionothermal Syntheses.- Inorganic Superspheres.
  • (source: Nielsen Book Data)9783319522944 20171211
Chemical structure and bonding. The scope of the series spans the entire Periodic Table and addresses structure and bonding issues associated with all of the elements. It also focuses attention on new and developing areas of modern structural and theoretical chemistry such as nanostructures, molecular electronics, designed molecular solids, surfaces, metal clusters and supramolecular structures. Physical and spectroscopic techniques used to determine, examine and model structures fall within the purview of Structure and Bonding to the extent that the focus is on the scientific results obtained and not on specialist information concerning the techniques themselves. Issues associated with the development of bonding models and generalizations that illuminate the reactivity pathways and rates of chemical processes are also relevant. The individual volumes in the series are thematic. The goal of each volume is to give the reader, whether at a university or in industry, a comprehensive overview of an area where new insights are emerging that are of interest to a larger scientific audience.
(source: Nielsen Book Data)9783319522944 20171211
Book
xvi, 464 pages : illustrations (some color) ; cm.
  • Contents Series Introduction Acknowledgments Contributors Chapter 1 Repurposing Insecticides and Drugs for the Control of Mosquitoes and their DiseasesJames Devillers Chapter 2 Insect Olfactory System as the Target for Computer-Aided Design of Mosquito RepellentsPolina V. Oliferenko, Alexander A. Oliferenko, Gennady Poda, Girinath G. Pillai, Ulrich R. Bernier, Natasha M. Agramonte, and Kenneth J. Linthicum Chapter 3 OBP-Structure-Aided Repellent Discovery: An Emerging Tool towards the Prevention of Mosquito-Borne DiseasesSpyros E. Zographos, Elias Eliopoulos, Trias Thireou, and Katerina E. Tsitsanou Chapter 4 Molecular Topology as a Powerful Tool for Searching new Repellents and Novel Drugs against Diseases Transmitted by MosquitoesRamon Garcia-Domenech, Riccardo Zanni, Maria Galvez-Llompart, and Jorge Galvez Chapter 5 Pharmacophore modeling applied to mosquito borne diseasesApurba K. Bhattacharjee Chapter 6 Comparative MIA-QSAR Proteochemometric Analysis of NS3 Protease Substrates in Dengue VirusMariene H. Duarte, Stephen J. Barigye, and Matheus P. Freitas Chapter 7 Mosquito-Active Cry d -Endotoxins from Bacillus thuringiensis subsp. israelensis: Structural Insights into the Toxin-Induced Pore Architecture Chalermpol Kanchanawarin and Chanan Angsuthanasombat Chapter 8 Structural Scaffolding for New Mosquito LarvicidesKunal Roy and Rahul B. Aher Chapter 9 SAR and QSAR Modeling of Structurally Diverse Juvenoids Active on Mosquito LarvaeJames Devillers, Annick Doucet-Panaye, and Jean-Pierre Doucet Chapter 10 SAR predictions of benzoylphenylurea chitin synthesis inhibitors active on larvae of Aedes aegyptiJames Devillers, Annick Doucet-Panaye, Jean-Pierre Doucet, Armand Lattes, Hubert Matondo, Christophe Lagneau, Sebastien Estaran, Marie-Michelle Clemente, and Andre Yebakima Chapter 11 Predicting the toxicity of piperidines against female adults of Aedes aegyptiJames Devillers, Annick Doucet-Panaye, Jean-Pierre Doucet, Christophe Lagneau, Sebastien Estaran, and Andre Yebakima Chapter 12 Molecular modeling studies of the inhibition by natural compounds of a mosquito detoxification system, implication in mosquito vector control Pornpimol Rongnoparut, Aruna Prasopthum, and Phisit Pouyfung Chapter 13 Critical review of models for exposure assessment of residents and bystanders to adulticides used in mosquito controlJames Devillers Chapter 14 Occupational exposure scenarios and modeling in vector controlJames Devillers Chapter 15 Use of insecticides indoor for the control of mosquitoes: Exposure scenarios and modelingJames Devillers Index.
  • (source: Nielsen Book Data)9781498741811 20171218
There is a compelling need for new drugs and efficient treatments against mosquito-borne diseases. Environmentally safe, but effective insecticides that address the problems of resistance are required. Computational Design of Chemicals for the Control of Mosquitoes and Their Diseases explains how the search for new substances effective against mosquitoes and their diseases has benefited from the use of in silico techniques. QSAR modeling is suited to identify the key structural features and/or physicochemical properties explaining an activity and to propose candidate molecules for further evaluation by laboratory tests. Homology modeling is useful to approximate the 3D structure of proteins of interest. Pharmacophore modeling is a powerful means to capture the chemical features responsible for an activity and to identify new potentially active compounds via the virtual screening of databases. Fugacity modeling and a wealth of other modeling paradigms are useful for risk assessment in vector borne disease control.
(source: Nielsen Book Data)9781498741811 20171218
Book
xxx, 372 pages : illustrations ; cm.
  • Physical and Mathematical Models for Nanosystems Simulation The Problem Statement Quantum-Chemical Methods of Modeling of Nanosystems Molecular Dynamics Methods for Modeling of Nanosystems Mesodynamics Methods for Modeling of Nanoparticle Interaction and Motion Continuum Mechanics Method Numerical Methods for Modeling of Nanosystems Numerical Algorithms for the Solution of Quantum-Chemical Problems Numerical Schemes of the Solution of the Molecular Dynamics Problems Numerical Schemes for the Integration of the Mesodynamics Equations Finite Element Algorithm of the Dispersion of Nanoparticles Modelling of Nanocomposite Compaction by the Method of Finite Elements Finite Element Algorithm for the Calculation of the Loading of Nanocomposites The Program Codes for Multilevel Modeling Numerical Simulation of Nanoparticle Formation Formation of Nanoparticles During the Condensation in a Gaseous Phase Probabilistic Laws of Distribution of Nanoparticle Structural Characteristics The Formation of Multicomponent Nanoparticles Consisting of Molecules Modelling Nanoparticle Dispersion Modelling Nanoparticle Dispersion by the Molecular Dynamics Method Numerical Simulation of Nanosystem Formation Simulation of Nanoelements Interactions and Self-Assembling Simulation of Electrodeposition of Metal Matrix Nanocomposite Coatings Simulation of Formation of Superficial Nanoheterostructures Simulation of Nanowhiskers Formation Simulation of Quantum Dots Formation Numerical Simulation of Nanosystem Properties Calculation of Nanostreams Properties Modelling of Absorption Properties of Carbon Nanocontainers for Gas Storage Calculation of Nanoparticle Elasticity Properties Calculation of Micro Cracks Properties with Nanoparticles.
  • (source: Nielsen Book Data)9781771885294 20171218
Computational Multiscale Modeling of Multiphase Nanosystems: Theory and Applications presents a systematic description of the theory of multiscale modeling of nanotechnology applications in various fields of science and technology. The problems of computing nanoscale systems at different structural scales are defined, and algorithms are given for their numerical solutions by the quantum/continuum mechanics, molecular dynamics, and mesodynamics methods. Emphasis is given to the processes of the formation, movement, and interaction of nanoparticles; the formation of nanocomposites; and the processes accompanying the application of nanocomposites. The book concentrates on different types of nanosystems: solid, liquid, gaseous, and multi-phase, consisting of various elements interacting with each other, and with other elements of the nanosystem and with the environment. The book includes a large number of examples of numerical modeling of nanosystems. The valuable information presented here will be useful to engineers, researchers, and postgraduate students engaged in the design and research in the field of nanotechnology.
(source: Nielsen Book Data)9781771885294 20171218
Book
x, 331 pages : illustrations ; 25 cm
  • Preface ix 1 From the Onset to the First Large-Scale Industrial Processes 1 1.1 Origin of the Catalytic Era 1 1.2 Berzelius and the Affinity Theory of Catalysis 4 1.3 Discovery of the Occurrence of Catalytic Processes in Living Systems in the Nineteenth Century 6 1.4 Kinetic Interpretation of Catalytic Processes in Solutions: The Birth of Homogeneous Catalysis 8 1.5 Onset of Heterogeneous Catalysis 18 1.6 First Large-Scale Industrial Processes Based on Heterogeneous Catalysts 26 1.6.1 Sulfuric Acid Synthesis 26 1.6.2 Ammonia Problem 29 1.6.3 Ammonia Oxidation Process 32 1.6.4 Ammonia Synthesis 33 1.7 Fischer Tropsch Catalytic Process 40 1.8 Methanol Synthesis 44 1.9 Acetylene Production and Utilization 46 1.10 Anthraquinone Process for Hydrogen Peroxide Production 47 References 49 2 Historical Development of Theories of Catalysis 59 2.1 Heterogeneous Catalysis 59 2.2 Chemical Kinetics and the Mechanisms of Catalysis 62 2.3 Electronic Theory of Catalysis: Active Sites 72 References 76 3 Catalytic Processes Associated with Hydrocarbons and the Petroleum Industry 83 3.1 Petroleum and Polymer Eras 83 3.2 Catalytic Cracking, Isomerization, and Alkylation of Petroleum Fractions 84 3.3 Reforming Catalysts 91 3.4 Hydrodesulfurization (HDS) Processes 93 3.5 Hydrocarbon Hydrogenation Reactions with Heterogeneous Catalysts 94 3.6 Olefin Polymerization: Ziegler Natta, Metallocenes, and Phillips Catalysts 98 3.7 Selective Oxidation Reactions 109 3.7.1 Alkane Oxidation 109 3.7.2 Olefin Oxidation 110 3.7.3 Aromatic Compounds Oxidation 111 3.8 Ammoximation and Oxychlorination of Olefins 113 3.9 Ethylbenzene and Styrene Catalytic Synthesis 117 3.10 Heterogeneous Metathesis 118 3.11 Catalytic Synthesis of Carbon Nanotubes and Graphene from Hydrocarbon Feedstocks 119 References 121 4 Surface Science Methods in the Second Half of the Twentieth Century 131 4.1 Real Dispersed Catalysts versus Single Crystals: A Decreasing Gap 131 4.2 Physical Methods for the Study of Dispersed Systems and Real Catalysts 132 4.3 Surface Science of Single-Crystal Faces and of Well-defined Systems 139 References 147 5 Development of Homogeneous Catalysis and Organocatalysis 155 5.1 Introductory Remarks 155 5.2 Homogeneous Acid and Bases as Catalysts: G. Olah Contribution 156 5.3 Organometallic Catalysts 161 5.4 Asymmetric Epoxidation Catalysts 175 5.5 Olefin Oligomerization Catalysts 179 5.6 Organometallic Metathesis 180 5.7 Cross-Coupling Reactions 186 5.8 Pd(II)-Based Complexes and Oxidation of Methane to Methanol 190 5.9 Non-transition Metal Catalysis, Organocatalysis, and Organo-Organometallic Catalysis Combination 191 5.9.1 Metal-Free Hydrogen Activation and Hydrogenation 192 5.9.2 Amino Catalysis 193 5.10 Bio-inspired Homogeneous Catalysts 194 References 195 6 Material Science and Catalysis Design 205 6.1 Metallic Catalysts 205 6.2 Oxides and Mixed Oxides 208 6.2.1 SiO2 and SiO2-Based Catalysts and Processes 209 6.2.2 Al2O3 and Al2O3-Based Catalysts and Processes 211 6.2.3 SiO2 Al2O3 and SiO2 Al2O3-Based Catalysts and Processes 211 6.2.4 MgO and MgO-Based Catalysts and Processes 212 6.2.5 ZrO2 and ZrO2-Based Catalysts and Processes 212 6.3 Design of Catalysts with Shape and Transition-State Selectivity 213 6.4 Zeolites and Zeolitic Materials: Historical Details 214 6.5 Zeolites and Zeolitic Materials Structure 218 6.6 Shape-Selective Reactions Catalyzed by Zeolites and Zeolitic Materials 221 6.6.1 Alkanes- and Alkene-Cracking and Isomerization 222 6.6.2 Aromatic Ring Positional Isomerizations 223 6.6.3 Synthesis of Ethyl Benzene, Cumene, and Alkylation of Aromatic Molecules 224 6.6.4 Friedel Crafts Acylation of Aromatic Molecules 225 6.6.5 Toluene Alkylation with Methanol 225 6.6.6 Asaki Process for Cyclohexanol Synthesis 226 6.6.7 Methanol-to-Olefins (MTO) Process 226 6.6.8 Nitto Process 227 6.6.9 Butylamine Synthesis 227 6.6.10 Beckman Rearrangements on Silicalite Catalyst 227 6.6.11 Partial Oxidation Reactions Using Titanium Silicalite 227 6.6.12 Nylon-6 Synthesis: The Role of Zeolitic Catalysts 229 6.6.13 Pharmaceutical Product Synthesis 229 6.7 Organic Inorganic Hybrid Zeolitic Materials and Inorganic Microporous Solids 230 6.7.1 Organic Inorganic Hybrid Zeolitic Materials 230 6.7.2 ETS-10: A Microporous Material Containing Monodimensional TiO2 Chains 231 6.7.3 Hydrotalcites: Microporous Solids with Exchangeable Anions 232 6.8 Microporous Polymers and Metal Organic Frameworks (MOFs) 232 6.8.1 Microporous Polymers 232 6.8.2 Metal organic Frameworks 234 References 235 7 Photocatalysis 243 7.1 Photochemistry and Photocatalysis: Interwoven Branches of Science 243 7.2 Photochemistry Onset 245 7.3 Physical Methods in Photochemistry 249 7.4 Heterogeneous and Homogeneous Photocatalysis 251 7.5 Natural Photosynthesis as Model of Photocatalysis 253 7.6 Water Splitting, CO2 Reduction, and Pollutant Degradation: The Most Investigated Artificial Photocatalytic Processes 256 7.6.1 Water Splitting 257 7.6.2 CO2 Photoreduction 261 7.6.3 Photocatalysis in Environmental Protection 263 References 264 8 Enzymatic Catalysis 269 8.1 Early History of Enzymes 269 8.2 Proteins and Their Role in Enzymatic Catalysis 273 8.3 Enzymes/Coenzymes Structure and Catalytic Activity 284 8.4 Mechanism of Enzyme Catalysis 288 8.5 Biocatalysis 294 References 295 9 Miscellanea 299 9.1 Heterogeneous and Homogeneous Catalysis in Prebiotic Chemistry 299 9.2 Opportunities for Catalysis in the Twenty-First Century and the Green Chemistry 312 References 317 Index 321.
  • (source: Nielsen Book Data)9781119181262 20170612
This book gradually brings the reader, through illustrations of the most crucial discoveries, into the modern world of chemical catalysis. Readers and experts will better understand the enormous influence that catalysis has given to the development of modern societies. Highlights the field's onset up to its modern days, covering the life and achievements of luminaries of the catalytic era Appeals to general audience in interpretation and analysis, but preserves the precision and clarity of a scientific approach Fills the gap in publications that cover the history of specific catalytic processes.
(source: Nielsen Book Data)9781119181262 20170612
Science Library (Li and Ma)
Book
IX, 421 p. 244 ill., 184 illus. in color : online resource. Digital: text file; PDF.
  • From the contents: Polymeric solar cells: Molecular orientation, structure, and optoelectronic performance.- An integrated approach towards highly efficient bulk-heterojunction solar cells based on dendritic oligothiophenes.- Organic solar cells based on oligothiophene derivatives.- Charge separation at nanostructured molecular donoracceptor interfaces.- p-B-n organic junctions for efficient photovoltaics.- Interplay between microscopic structure and intermolecular charge transfer processes in polymer-fullerene bulk-heterojunctions.- Organic solar cells from optimized self-assembling block copolymers with controlled nanoscale morphology.
  • (source: Nielsen Book Data)9783319283364 20171211
This volume presents the results of a multi-year research programme funded by the Deutsche Forschungsgemeinschaft (German Research Council), which explains how organic solar cells work. In this new promising photovoltaic technology, carbon-based materials are deposited by low-cost methods onto flexible substrates, thus allowing devices which open completely new applications like transparent coatings for building, solar cells integrated into clothing or packages, and many more. The investigation of organic solar cells is an interdisciplinary topic, covering physics, chemistry and engineering. The different chapters address topics ranging from the synthesis of new organic materials, to the characterization of the elementary processes such as exciton transport and separation, and the principles of highly efficient device design.
(source: Nielsen Book Data)9783319283364 20171211
Book
xxvi, 320 pages : illustrations (some color) ; 24 cm
The UK Catalysis Hub is a consortium of universities working together on fundamental and applied research to find out how catalysts work and to improve their effectiveness. The contribution of catalysis to manufacturing contributes to almost 40% of global GDP, making development and innovation within the field integral to industry.Modern Developments in Catalysis provides a review of current research and practise on catalysis, focussing on five main themes: catalysis design, environmental catalysis, catalysis and energy, chemical transformation and biocatalysis and biotransformations. Topics range from complex reactions to the intricacies of catalyst preparation for supported nanoparticles, while chapters illustrate the challenges facing catalytic science and the directions in which the field is developing. Edited by leaders of the UK Hub, this book provides insight into one of the most important areas of modern chemistry - it represents a unique learning opportunity for students and professionals studying and working towards speeding-up, improving and increasing the rate of catalytic reactions in science and industry.
(source: Nielsen Book Data)9781786341211 20170213
Science Library (Li and Ma)
Book
1 online resource.
  • Preface to the Second Edition xv Preface to the First Edition xvii 1 Introductory Concepts 1 1.1 Introduction 1 1.2 The Excitement and Relevance of Nuclear Chemistry 2 1.3 The Atom 3 1.4 Atomic Processes 4 1.5 The Nucleus: Nomenclature 7 1.6 Properties of the Nucleus 8 1.7 Survey of Nuclear Decay Types 9 1.8 Modern Physical Concepts Needed in Nuclear Chemistry 12 Bibliography 21 2 Nuclear Properties 25 2.1 Nuclear Masses 25 2.2 Terminology 28 2.3 Binding Energy Per Nucleon 29 2.4 Separation Energy Systematics 31 2.5 Abundance Systematics 32 2.6 Semiempirical Mass Equation 33 2.7 Nuclear Sizes and Shapes 39 2.8 Quantum Mechanical Properties 43 2.9 Electric and Magnetic Moments 45 Problems 51 Bibliography 55 3 Radioactive Decay Kinetics 57 3.1 Basic Decay Equations 57 3.2 Mixture of Two Independently Decaying Radionuclides 65 3.3 Radioactive Decay Equilibrium 66 3.4 Branching Decay 76 3.5 Radiation Dosage 77 3.6 Natural Radioactivity 79 3.7 Radionuclide Dating 84 Problems 90 Bibliography 92 4 Nuclear Meddicine 93 4.1 Introduction 93 4.2 Radiopharmaceuticals 94 4.3 Imaging 96 4.4 99Tcm 98 4.5 PET 99 4.6 Other imaging techniques 103 4.7 Some Random Observations about the Physics of Imaging 104 4.8 Therapy 108 Problems 110 Bibliography 112 5 Particle Physics and the Nuclear Force 113 5.1 Particle Physics 113 5.2 The Nuclear Force 117 5.3 Characteristics of the Strong Force 119 5.4 Charge Independence of Nuclear Forces 120 Problems 124 Bibliography 124 6 Nuclear Structure 125 6.1 Introduction 125 6.2 Nuclear Potentials 127 6.3 Schematic Shell Model 129 6.4 Independent Particle Model 141 6.5 Collective Model 143 6.6 Nilsson Model 149 6.7 Fermi Gas Model 152 Problems 161 Bibliography 164 7 -Decay 167 7.1 Introduction 167 7.2 Energetics of Decay 169 7.3 Theory of Decay 173 7.4 Hindrance Factors 182 7.5 Heavy Particle Radioactivity 183 7.6 Proton Radioactivity 185 Problems 186 Bibliography 188 8 -Decay 191 8.1 Introduction 191 8.2 Neutrino Hypothesis 192 8.3 Derivation of the Spectral Shape 196 8.4 Kurie Plots 199 8.5 Decay Rate Constant 200 8.6 Electron Capture Decay 206 8.7 Parity Nonconservation 207 8.8 Neutrinos Again 208 8.9 -Delayed Radioactivities 209 8.10 Double Decay 211 Problems 213 Bibliography 214 9 -Ray Decay 217 9.1 Introduction 217 9.2 Energetics of -Ray Decay 218 9.3 Classification of Decay Types 220 9.4 Electromagnetic Transition Rates 223 9.5 Internal Conversion 229 9.6 Angular Correlations 232 9.7 Mossbauer Effect 238 Problems 244 Bibliography 245 10 Nuclear Reactions 247 10.1 Introduction 247 10.2 Energetics of Nuclear Reactions 248 10.3 Reaction Types and Mechanisms 252 10.4 Nuclear Reaction Cross Sections 253 10.5 Reaction Observables 264 10.6 Rutherford Scattering 264 10.7 Elastic (Diffractive) Scattering 268 10.8 Aside on the Optical Model 270 10.9 Direct Reactions 271 10.10 Compound Nuclear Reactions 273 10.11 Photonuclear Reactions 279 10.12 Heavy-Ion Reactions 281 10.13 High-Energy Nuclear Reactions 291 Problems 298 Bibliography 302 11 Fission 305 11.1 Introduction 305 11.2 Probability of Fission 308 11.3 Dynamical Properties of Fission Fragments 323 11.4 Fission Product Distributions 327 11.5 Excitation Energy of Fission Fragments 334 Problems 337 Bibliography 338 12 Nuclear Astrophysics 339 12.1 Introduction 339 12.2 Elemental and Isotopic Abundances 340 12.3 Primordial Nucleosynthesis 343 12.4 Thermonuclear Reaction Rates 351 12.5 Stellar Nucleosynthesis 353 12.6 Solar Neutrino Problem 366 12.7 Synthesis of Li, Be, and B 373 Problems 375 Bibliography 376 13 Reactors and Accelerators 379 13.1 Introduction 379 13.2 Nuclear Reactors 380 13.3 Neutron Sources 391 13.4 Neutron Generators 392 13.5 Accelerators 393 13.6 Charged-Particle Beam Transport and Analysis 410 13.7 Radioactive Ion Beams 415 13.8 Nuclear Weapons 421 Problems 425 Bibliography 427 14 The Transuranium Elements 429 14.1 Introduction 429 14.2 Limits of Stability 429 14.3 Element Synthesis 434 14.4 History of Transuranium Element Discovery 437 14.5 Superheavy Elements 449 14.6 Chemistry of the Transuranium Elements 452 14.7 Environmental Chemistry of the Transuranium Elements 461 Problems 468 Bibliography 469 15 Nuclear Reactor Chemistry 473 15.1 Introduction 473 15.2 Fission Product Chemistry 475 15.3 Radiochemistry of Uranium 478 15.4 The Nuclear Fuel Cycle: The Front End 480 15.5 The Nuclear Fuel Cycle: The Back End 488 15.6 Radioactive Waste Disposal 493 15.7 Chemistry of Operating Reactors 504 Problems 506 Bibliography 507 16 Interaction of Radiation with Matter 509 16.1 Introduction 509 16.2 Heavy Charged Particles 512 16.3 Electrons 526 16.4 Electromagnetic Radiation 531 16.5 Neutrons 540 16.6 Radiation Exposure and Dosimetry 544 Problems 548 Bibliography 550 17 Radiation Detectors 553 17.1 Introduction 553 17.2 Detectors Based on Collecting Ionization 556 17.3 Scintillation Detectors 578 17.4 Nuclear Track Detectors 584 17.5 Neutron Detectors 585 17.6 Nuclear Electronics and Data Collection 587 17.7 Nuclear Statistics 589 Problems 599 Bibliography 600 18 Nuclear Analytical Methods 603 18.1 Introduction 603 18.2 Activation Analysis 603 18.3 PIXE 612 18.4 Rutherford Backscattering 615 18.5 Accelerator Mass Spectrometry (AMS) 619 18.6 Other Mass Spectrometric Techniques 620 Problems 621 Bibliography 623 19 Radiochemical Techniques 625 19.1 Introduction 625 19.2 Unique Aspects of Radiochemistry 626 19.3 Availability of Radioactive Material 630 19.4 Targetry 632 19.5 Measuring Beam Intensity and Fluxes 637 19.6 Recoils, Evaporation Residues, and Heavy Residues 639 19.7 Radiochemical Separation Techniques 644 19.8 Low-Level Measurement Techniques 653 Problems 659 Bibliography 660 20 Nuclear Forensics 663 20.1 Introduction 663 20.2 Chronometry 670 20.3 Nuclear Weapons and Their Debris 672 20.4 Deducing Sources and Routes of Transmission 678 Problems 680 Bibliography 681 Appendix A: Fundamental Constants and Conversion Factors 683 Appendix B: Nuclear Wallet Cards 687 Appendix C: Periodic Table of the Elements 711 Appendix D: Alphabetical List of the Elements 713 Appendix E: Elements of Quantum Mechanics 715 Index 737.
  • (source: Nielsen Book Data)9780470906736 20170424
Written by established experts in the field, this book features in-depth discussions of proven scientific principles, current trends, and applications of nuclear chemistry to the sciences and engineering. Provides up-to-date coverage of the latest research and examines the theoretical and practical aspects of nuclear and radiochemistry Presents the basic physical principles of nuclear and radiochemistry in a succinct fashion, requiring no basic knowledge of quantum mechanics Adds discussion of math tools and simulations to demonstrate various phenomena, new chapters on Nuclear Medicine, Nuclear Forensics and Particle Physics, and updates to all other chapters Includes additional solved problems to help students and a solutions manual for all end of chapter problems for instructors Reviews of 1st edition: "...an authoritative, comprehensive but succinct, state-of-the-art textbook ..." (The Chemical Educator) and "...an excellent resource for libraries and laboratories supporting programs requiring familiarity with nuclear processes ..." (CHOICE).
(source: Nielsen Book Data)9780470906736 20170424
Book
xx, 405 pages : illustrations ; 24 cm
  • Effect of a Primary Aromatic Amine on Properties and Structure of HDPE R. J. Deberdeev, V. V. Kurnosov, J. A. Sergeeva, and O. V. Stoyanov Critical Conversion of Crosslinked Epoxyamine Polymers T. R. Deberdeev, V. I. Irzhak, R. Y. Deberdeev, and O. V. Stoynov Deformation Electromagnetic Anisotropy of Various Physical States of Highly Cross-Linked Polymers N. V. Ulitin, T. R. Deberdeev, R. Y. Deberdeev, L. F. Nasibullina, and A. A. Berlin Polysulfide Oligomer Solidification Process V. S. Minkin, Y. N. Khakimullin, A. A. Idiyatova, Y. V. Minkina, and R. Y. Deberdeev Solidification of Polysulfide Hermetics Y. N. Khakimullin, R. R. Valyaev, L. Y. Gubaidullin, V. S. Minkin, O. V. Oshchepkov, A. G. Liakumovich, and R. Y. Deberdeev The Improvement of Adhesion Parameters of Neopren-Based Adhesive Compositions V. F. Kablov, N. A. Keybal, S. N. Bondarenko, and K. U. Rudenko Ultrasound Effect on the Joint Processing of Different Chemical Polymers I. A. Kirsh, T. I. Chalykh, and D. A. Pomogova Electrical Transport Properties of Poly(Aniline-Co-N-Phenylaniline) Copolymers A. D. Borkar Carbon Nanotubes: Update and New Pathways F. Raeisi, S. Poreskandar, S. Maghsoodlou, and A. K. Haghi Pathways in Producing Electrospun Nanofibers S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi A Detailed Review and Update on Nanofibers Production and Applications S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi Fiber Formation during Electrospinning Process: An Engineering Insight S. Poreskandar, F. Raeisi, S. Maghsoodlou, and A. K. Haghi Characteristics of Film and Nonwoven Fiber Materials Prepared from Polyurethane and Styrene Acrylonitrile S. G. Karpova, Y. A. Naumova, L. P. Lyusova, and A. A. Popov Generalized Kinetic of Biodegradation G. E. Zaikov, K. Z. Gumargalieva, I. G. Kalinina, M. I. Artsis, and L. A. Zimina Reaction of Telomerization of Ethylene and Trichloracetic Acid Ethyl Ester Nodar Chkhubianishvili and Lali Kristesashvili Synthesis and Spectral-Fluorescent Study of Protein Coatings on Magnetic Nanoparticles Using Carbocyanine Dyes P. G. Pronkin, A. V. Bychkova, O. N. Sorokina, A. S. Tatikolov, A. L. Kovarskii, and M. A. Rosenfeld Structure of Multilayer Thermal Shrink Films for Packaging R. M. Garipov, V. N. Serova, A. I. Zagidullin, A. I. Khasanov, and A. A. Efremova Molecular Nitrogen Fixation with Hydroperoxyl Radicals: A Theoretical and Quantum Chemical Study Ayodeji A. Ijagbuji, Elena V. Poshtareva, Alla N. Reisser, Vladimir V. Schwarzkopf, Tobenna C. Philips, Max B. Jefferey, Williams W. Mccarthy, and Ivan I. Zakharov Synthesis, Structure of New Phosphoryl Methyl Derivative Aminoacids and Their Membrane Transport Properties Related to Alkali Metals Sergey Alekseevich Koshkin, Airat Rizvanovich Garifzyanov, Natalia Viktorovna Davletshina, Rustam, Rifkhatovich Davletshin, Oleg Vladislavovich Stoyanov, and Rafael Askhatovich Cherkasov Thermodynamic Aspects of the Changes in the Electrical Conductivity of Polyethylene Filled Carbon Black Ninel N. Komova, Dimitry I. Zibin, and Gennady E. Zaikov Entropic and Spatial-Energy Interactions G. A. Korablev, V. I. Kodolov, and G. E. Zaikov.
  • (source: Nielsen Book Data)9781771883221 20170117
Pathways to Modern Physical Chemistry: An Engineering Approach with Multidisciplinary Applications focuses on recent trends and takes a systematic and practical look at theoretical aspects of materials chemistry. The book describes the characterization and analysis methods for materials and explains physical transport mechanisms in various materials. Not only does this book summarize the classical theories of materials chemistry, but it also exhibits their engineering applications in response to the current key issues. Recent trends in several areas are explored, including polymer science, textile engineering, and chemical engineering science, which have important application to practice.
(source: Nielsen Book Data)9781771883221 20170117
Science Library (Li and Ma)
Book
435 pages : 50 b/w images and 51 color images ; cm.
  • An Investigation of Kinetic and Equilibrium Behavior of Adsorption of Methylene Blue on Silica Hydrogel Ayben Top, Yelda Akdeniz, Sevgi Ulutan, and Devrim Balkose Advancements in Boric Acid Production from Boron Minerals Mehmet Gonen Dual Role Played by Ionic Liquids to Modulate the Interfacial and Micellar Properties of the Single Chain Cationic Surfactants in Aqueous Solution Utkarsh U. More, Omar A. El Seoud, and Naved I. Malek The Modeling Possibilities for Organic Reactivity: Polaric and Steric Effects V. I. Kodolov An Insight into Nearly Ideal Behavior of Ionic Liquid Mixtures Sushma P. Ijardar Unsaturated Bond-Containing Heterochain Polymers for Biomedical Use E. Chkhaidze, N. Nepharidze, and D. Kharadze Features of Lanthanum Extraction by Intergel System Based on Polyacrylic Acid and Poly-2-Methyl-5-Vinylpyridine Hydrogels T. K. Jumadilov, R. G. Kondaurov, and L. E. Agibayeva A Study on the Influence of Î -Al2o3 on Polyvinyl Chloride-Poly (Butyl Methacrylate) Nanocomposite Polymer Electrolytes R. Arunkumar, Ravi Shanker Babu, M. Usha Rani, and S. Kalainathan Bioproducts Obtained from the Bioprocessing of Banana Peel Waste: An Overview Socrates Palacios-Ponce, Anna Ilyina, Rodolfo Ramos-Gonzalez, Hector A. Ruiz, Jose L. Martinez-Hernandez, Elda P. Segura-Ceniceros, Miguel A. Aguilar, Olga Sanchez, and Cristobal N. Aguilar The Vision of Water Purification and Innovative Technologies: A Brief Review Sukanchan Palit Foodborne Viruses: Role of One's Health in Food Safety: "Food Safety Is Everybody's Business" Porteen Kannan, S. Wilfred Ruban, and M. Nithya Quintoil Nanomaterials: New Insights in Cancer Treatment Priya Patel, Mihir Raval, and Paresh Patel Nanotechnology in Cosmetics: How Safe Is It? Priya Patel, Paresh Patel, Neha Vadgama, and Mihir Raval A Density Functional Study of Ag Doped Cu Nanoalloy Clusters Prabhat Ranjan, Ajay Kumar, and Tanmoy Chakraborty Design, Development and Optical Properties of Functional Active Methacrylate Polymer/ZnO Nanocomposites S. Mohammed Safiullah, I. Pugazhenthi, and K. Anver Basha Superconductors, Superconductivity, BCS Theory, and Entagled Photons for Quantum Computing Francisco Torrens and Gloria Castellano Cuprate-Based High-Temperature Superconductor K. V. Shilna and Swapna S Nair Basics of Carbohydrate Rajeev Singh and Anamika Singh.
  • (source: Nielsen Book Data)9781351613941 20171218
This new volume, Physical Chemistry for Engineering and Applied Sciences: Theoretical and Methodological Implications, introduces readers to some of the latest research applications of physical chemistry. The compilation of this volume was motived by the tremendous increase of useful research work in the field of physical chemistry and related subjects in recent years, and the need for communication between physical chemists, physicists, and biophysicists. This volume reflects the huge breadth and diversity in research and the applications in physical chemistry and physical chemistry techniques, providing case studies that are tailored to particular research interests. It examines the industrial processes for emerging materials, determines practical use under a wide range of conditions, and establishes what is needed to produce a new generation of materials. The chapter authors, affiliated with prestigious scientific institutions from around the world, share their research on new and innovative applications in physical chemistry. The chapters in the volume are divided into several areas, covering developments in physical chemistry of modern materialspolymer science and engineeringnanoscience and nanotechnology.
(source: Nielsen Book Data)9781351613941 20171218
Book
1 online resource (749 pages) : color illustrations
  • Introduction
  • Statistical mechanics
  • Ideal gases
  • Non-ideal gases and intermolecular interactions
  • Liquids, liquid crystals, and ionic liquids
  • Solids, nanoparticles, and interfaces
  • First law of thermodynamics
  • Second law of thermodynamics
  • Third law of thermodynamics and temperature dependence of heat capacity, enthalpy, and entropy
  • Thermochemistry : the role of heat in chemical and physical changes
  • Chemical equilibrium
  • Phase stability and phase transitions
  • Solutions and mixtures : nonelectrolytes
  • Solutions of electrolytes
  • Electrochemistry : the chemistry of free charge exchange
  • Empirical chemical kinetics
  • Reaction dynamics : mechanisms and rates
  • Complex reactions mechanisms : catalysis, photochemistry and charge transfer
  • Developing quantum mechanical intuition
  • The quantum mechanical description of nature
  • Model quantum systems
  • Atomic structure
  • Introduction to spectroscopy and atomic spectroscopy
  • Molecular bonding and structure
  • Molecular spectroscopy & excited state dynamics : diatomics
  • Polyatomic molecules and group theory
  • Light-matter interactions : lasers, laser spectroscopy, and photodynamics.
Book
1 online resource.
This brief provides an overview of theoretical research in organic ferromagnetic material design using quantum chemical approaches based on molecular orbital theory from primary Huckel to ab initio levels of theory. Most of the content describes the authors' approach to identify simple and efficient guidelines for magnetic design, which have not been described in other books. Individual chapters cover quantum chemistry methods that may be used to find hydrocarbon systems with degenerate non-bonding molecular orbitals that interact with each other, to identify high-spin-preferred systems using an analytical index that allows for simple design of high-spin systems as well as to analyze the effect of high-spin stability through orbital interactions. The extension of these methods to large systems is discussed.This book is a valuable resource for students and researchers who are interested in quantum chemistry related to magnetic property.
(source: Nielsen Book Data)9783319498270 20170502
EBSCOhost Access limited to 1 user
Book
xvi, 418 pages ; cm.
  • A New Computing Paradigm. Genetic Algorithms. Evolutionary Computing. Random Mutation Hill Climbing and Simulated Annealing Methods. Swarm Intelligence. Application of Soft-computing in Physics. Soft Computing in Chemistry. Artificial Neural Networks. Fuzzy Systems. Quantum and Soft-Computing.
  • (source: Nielsen Book Data)9781498755955 20171218
This book can be regarded as 'Soft computing for physicists and chemists self-taught'. It prepares the readers with a solid background of soft computing and how to adapt soft computing techniques to problem solving in physical and chemical research. Soft computing methods have been little explored by researchers in physical and chemical sciences primarily because of the absence of books that bridge the gap between the traditional computing paradigm pursued by researchers in science and the new soft computing paradigm that has emerged in computer science. This book is the interface between these primary sources and researchers in physics and chemistry.
(source: Nielsen Book Data)9781498755955 20171218
Book
1 online resource () : illustrations.
  • Theory of Sonochemistry.- Advances in Green Organic Sonochemistry.- Nanostructured Materials Synthesis Using Ultrasound.- Synthesis of Photoactive Materials by Sonication: Application in Photocatalysis and Solar Cells.- The Role of Ultrasound on Advanced Oxidation Processes.- Effects of Ultrasonic Disintegration of Excess Sewage Sludge.- Combined Microwaves/Ultrasound, a Hybrid Technology.- Ultrasound in Combination with Ionic Liquids: Studied Applications and Perspectives.- Synergy of Microfluidics and Ultrasound.- Sonochemical Reactors.
  • (source: Nielsen Book Data)9783319542706 20170515
The series Topics in Current Chemistry Collections presents critical reviews from the journal Topics in Current Chemistry organized in topical volumes. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field.
(source: Nielsen Book Data)9783319542706 20170515
EBSCOhost Access limited to 1 user
Book
400 pages ; cm.
  • Open-Shell Molecules, Unrestricted Hartree-Fock Formalism and Spin-Orbit Coupling Theory Stretching and Breaking of Chemical Bonds Leading to Open-Shell Character of Molecular Electronic Systems Spin Roots of Dirac Material Graphene Silicene and Other Heavy Tetrelenes Spin Molecular Theory of Graphene Hydrogenation Spin Molecular Theory of Graphene Oxidation Technical Graphene (Reduced Graphene Oxide) and Its Natural Counterpart (Shungite Carbon) Parent and Reduced Graphene Oxides of Different Origin in Light of Neutron Scattering Spin Mechanochemistry of Graphene. Static Deformation and Uniaxial Tension of Nanographene Molecule Spin Mechanochemistry of Graphene. Uniaxial Tension of Nanographane Spin Topochemistry of Spatially Extended sp2 Nnocarbons in General and Graphene in Particular Photonics of Graphene Quantum Dots Aposteriori Reflections.
  • (source: Nielsen Book Data)9781351858601 20171218
Graphene's nickname `miracle material' normally means the material superior properties. However, all these characteristics are only the outward manifestation of the wonderful nature of graphene. The real miracle of graphene is that the specie is a union of two entities: a physical - and a chemical one, each of which is unique in its own way. The book concerns a very close interrelationship between graphene physics and chemistry as expressed via typical spin effects of a chemical physics origin. Based on quantum-chemical computations, the book is nevertheless addressed to the reflection of physical reality and it is aimed at an understanding of what constitutes graphene as an object of material science - sci graphene - on the one hand, and as a working material- high tech graphene - for a variety of attractive applications largely discussed and debated in the press, on the other. The book is written by a user of quantum chemistry, sufficiently experienced in material science, and the chemical physics of graphene is presented as the user view based on results of extended computational experiments in tight connection with their relevance to physical and chemical realities. The experiments have been carried out at the same theoretical platform, which allows considering different sides of the graphene life at the same level in light of its chemical peculiarity.
(source: Nielsen Book Data)9781351858601 20171218

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