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Book
1 online resource (xiii, 283 pages) : illustrations.
Book
1 online resource : illustrations.
Book
xiv, 261 pages : illustrations ; 24 cm.
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD461 .M396 2015 Unavailable In process Request
Book
1 online resource.
"Based on the '240' Conference held at the University of Chicago in September of 2012, this special volume of The Advances in Chemical Physics series celebrates scientific research contributions and careers of R. Stephen Berry, Stuart A. Rice and Joshua Jortner"-- Provided by publisher.
"Based on the '240' Conference held at the University of Chicago in September of 2012, this special volume of The Advances in Chemical Physics series celebrates scientific research contributions and careers of R. Stephen Berry, Stuart A. Rice and Joshua Jortner"-- Provided by publisher.
Book
1 online resource (xvii, 80 pages) : illustrations (some color).
Book
1 online resource (vi, 230 pages) : illustrations (some color).
  • Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces.- First-principles study of structure and stability in Si-C-O-based materials.- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein.- Preface to the ESPA-2012 special issue.- Br2 dissociation in water clusters: the catalytic role of water.- Low-energy nanoscale clusters of (TiC) n n = 6, 12: a structural and energetic comparison with MgO.- Alkyl mercury compounds: an assessment of DFT methods.- Simulating the optical properties of CdSe clusters using the RT-TDDFT approach.- Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with "mu-SCN" bridging ligands.- Exohedral interaction in cationic lithium metallofullerenes.- Isodesmic reaction for pK a calculations of common organic molecules.- Organometallic copper I, II or III species in an intramolecular dechlorination reaction.- A theoretical investigation of the CO2-philicity of amides and carbamides.- Electronic structure studies of diradicals derived from Closo-Carboranes.- Manipulating the singlet-triplet transition in ion strings by nonresonant dynamic Stark effect.- Cooperativity of hydrogen and halogen bond interactions.- MS-CASPT2 study of the low-lying electronic excited states of di-thiosubstituted formic acid dimers.- The one-electron picture in the Piris natural orbital functional 5 (PNOF5).- Theoretical study of the benzoquinone-tetrathiafulvalene-benzoquinone triad in neutral and oxidized/reduced states.- Structures and energetics of organosilanes in the gaseous phase: a computational study.- Isotope effects on the dynamics properties and reaction mechanism in the Cl(2P) + NH3 reaction: a QCT and QM study.- A theoretical analysis of the magnetic properties of the low-dimensional copper(II)X2(2-X-3-methylpyridine)2 (X = Cl and Br) complexes.- Numerical investigation of the elastic scattering of hydrogen (isotopes) and helium at graphite (0001) surfaces at beam energies of 1 to 4 eV using a split-step Fourier method.- Dancing multiplicity states supported by a carboxylated group in dicopper structures bonded to O2.- On the transferability of fractional contributions to the hydration free energy of amino acids.
  • (source: Nielsen Book Data)
This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.
(source: Nielsen Book Data)
  • Analysis of the origin of lateral interactions in the adsorption of small organic molecules on oxide surfaces.- First-principles study of structure and stability in Si-C-O-based materials.- A time-dependent DFT/molecular dynamics study of the proton-wire responsible for the red fluorescence in the LSSmKate2 protein.- Preface to the ESPA-2012 special issue.- Br2 dissociation in water clusters: the catalytic role of water.- Low-energy nanoscale clusters of (TiC) n n = 6, 12: a structural and energetic comparison with MgO.- Alkyl mercury compounds: an assessment of DFT methods.- Simulating the optical properties of CdSe clusters using the RT-TDDFT approach.- Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with "mu-SCN" bridging ligands.- Exohedral interaction in cationic lithium metallofullerenes.- Isodesmic reaction for pK a calculations of common organic molecules.- Organometallic copper I, II or III species in an intramolecular dechlorination reaction.- A theoretical investigation of the CO2-philicity of amides and carbamides.- Electronic structure studies of diradicals derived from Closo-Carboranes.- Manipulating the singlet-triplet transition in ion strings by nonresonant dynamic Stark effect.- Cooperativity of hydrogen and halogen bond interactions.- MS-CASPT2 study of the low-lying electronic excited states of di-thiosubstituted formic acid dimers.- The one-electron picture in the Piris natural orbital functional 5 (PNOF5).- Theoretical study of the benzoquinone-tetrathiafulvalene-benzoquinone triad in neutral and oxidized/reduced states.- Structures and energetics of organosilanes in the gaseous phase: a computational study.- Isotope effects on the dynamics properties and reaction mechanism in the Cl(2P) + NH3 reaction: a QCT and QM study.- A theoretical analysis of the magnetic properties of the low-dimensional copper(II)X2(2-X-3-methylpyridine)2 (X = Cl and Br) complexes.- Numerical investigation of the elastic scattering of hydrogen (isotopes) and helium at graphite (0001) surfaces at beam energies of 1 to 4 eV using a split-step Fourier method.- Dancing multiplicity states supported by a carboxylated group in dicopper structures bonded to O2.- On the transferability of fractional contributions to the hydration free energy of amino acids.
  • (source: Nielsen Book Data)
This volume collects research findings presented at the 8th Edition of the Electronic Structure: Principles and Applications (ESPA-2012) International Conference, held in Barcelona, Spain on June 26-29, 2012. The contributions cover research work on methods and fundamentals of theoretical chemistry, chemical reactivity, bimolecular modeling, and materials science. Originally published in the journal Theoretical Chemistry Accounts, these outstanding papers are now available in a hardcover print format, as well as a special electronic edition. This volume provides valuable content for all researchers in theoretical chemistry, and will especially benefit those research groups and libraries with limited access to the journal.
(source: Nielsen Book Data)
Book
xxv, 1,008 p. : col ill ; 28 cm
  • PART 1: THERMODYNAMICS -- 1. The properties of gases -- 2. The First Law -- 3. The Second and Third Laws -- 4. Physical transformations of pure substances -- 5. Simple mixtures -- 6. Chemical equilibrium -- PART 2: STRUCTURE -- 7. Introduction to quantum theory -- 8. The quantum theory of motion -- 9. Atomic structure and spectra -- 10. Molecular structure -- 11. Molecular symmetry -- 12. Rotational and vibrational spectra -- 13. Electronic transitions -- 14. Magnetic resonance -- 15. Statistical thermodynamics -- 16. Molecular interactions -- 17. Macromolecules and self-assembly -- 18. Solids -- PART 3: CHANGE -- 19. Molecular motion -- 20. Chemical kinetics -- 21. Reaction dynamics -- 22. Processes on surfaces.
  • (source: Nielsen Book Data)
The exceptional quality of previous editions has been built upon to make the tenth edition of Atkins' Physical Chemistry even more closely suited to the needs of both lecturers and students. Material within chapters has been radically reorganised into discrete topics, to give the text an inviting modular feel. This restructuring increases the digestibility of the text for students, while making it more flexible for lecturers to teach from. The extensive learning support provided throughout the book now includes new checklists of key concepts at the end of each topic, to reinforce the main take-home messages in each section. The mathematics support for students has also been significantly expanded, with the addition of new Chemist's toolkit boxes, which provide useful reminders of essential mathematical concepts and techniques. The coupling of the broad coverage of the subject with a structure and use of pedagogy that is even more innovative will ensure Atkins' Physical Chemistry remains the textbook of choice for studying physical chemistry. Online Resource Centre The Online Resource Centre to accompany Atkins' Physical Chemistry features: For registered adopters of the book: * Figures and tables from the book, in ready to download format * Tables of editable key equations * Instructor's Solutions Manual For students: * Web links to a range of additional physical chemistry resources on the internet * Group theory tables, available for downloading * Living graphs * Molecular modelling problems * Impact sections linked to via QR codes in the text.
(source: Nielsen Book Data)
  • PART 1: THERMODYNAMICS -- 1. The properties of gases -- 2. The First Law -- 3. The Second and Third Laws -- 4. Physical transformations of pure substances -- 5. Simple mixtures -- 6. Chemical equilibrium -- PART 2: STRUCTURE -- 7. Introduction to quantum theory -- 8. The quantum theory of motion -- 9. Atomic structure and spectra -- 10. Molecular structure -- 11. Molecular symmetry -- 12. Rotational and vibrational spectra -- 13. Electronic transitions -- 14. Magnetic resonance -- 15. Statistical thermodynamics -- 16. Molecular interactions -- 17. Macromolecules and self-assembly -- 18. Solids -- PART 3: CHANGE -- 19. Molecular motion -- 20. Chemical kinetics -- 21. Reaction dynamics -- 22. Processes on surfaces.
  • (source: Nielsen Book Data)
The exceptional quality of previous editions has been built upon to make the tenth edition of Atkins' Physical Chemistry even more closely suited to the needs of both lecturers and students. Material within chapters has been radically reorganised into discrete topics, to give the text an inviting modular feel. This restructuring increases the digestibility of the text for students, while making it more flexible for lecturers to teach from. The extensive learning support provided throughout the book now includes new checklists of key concepts at the end of each topic, to reinforce the main take-home messages in each section. The mathematics support for students has also been significantly expanded, with the addition of new Chemist's toolkit boxes, which provide useful reminders of essential mathematical concepts and techniques. The coupling of the broad coverage of the subject with a structure and use of pedagogy that is even more innovative will ensure Atkins' Physical Chemistry remains the textbook of choice for studying physical chemistry. Online Resource Centre The Online Resource Centre to accompany Atkins' Physical Chemistry features: For registered adopters of the book: * Figures and tables from the book, in ready to download format * Tables of editable key equations * Instructor's Solutions Manual For students: * Web links to a range of additional physical chemistry resources on the internet * Group theory tables, available for downloading * Living graphs * Molecular modelling problems * Impact sections linked to via QR codes in the text.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Permanent reserve
QD453.3 .A74 2014 Unknown
Book
1 online resource : text file, PDF
  • The Selective Alkylarens Oxidations with Dioxygen in the Presence of Catalytical Systems L. I. Matienko, L. A. Mosolova, A. D'Amore, and G. E. Zaikov Kinetics and Mechanism Toluene and Cumene Oxidation by Dioxygen With Nickel (II) Complexes L. I. Matienko, L. A. Mosolova, A. D'Amore, and G. E. Zaikov Polymer-Based Solar Cells A. D'Amore, V. Mottaghitalab, and A. K. Haghi Formation of Metal Organic Frameworks Alberto D'Amore and A. K. Haghi Quantum and Wave Characteristics of Spatial-Energy Interactions G. . Korablev and G. . Zaikov Fractal Analysis in Polycondensation Process G. V. Kozlov, G. B. Shustov, G. E. Zaikov, E. M. Pearce, and G. Kirshenbaum Selection of Medical Preparations for Treating Lower Parts of the Urinary System Z. G. Kozlova Improvement of the Functional Properties of lysozyme by Interaction With 5-Methylresorcinol E. I. Martirosova and I. G. Plashchina Introductions in Culture in vitro Rare Bulbous Plants of the Sochi Black Sea Coast (Scilla, Muscari, Galanthus) A. O. Matskiv, A. A. Rybalko, and A. E. Rybalko Effect of Cobalt Content on the Corrosion Resistance in Acid, Alkaline and Ringer Solution of Fe-Co-Zr-Mo-W-B Metallic Glasses D. Klimecka-Tatar, G. Pawlowska, R. Orlicki, and G. E. Zaikov The Methods of the Study the Processes of the Issue to Optical Information Biological Object U. . Pleshkova and A. M. Likhter The Effect of Free Radical Oxidation on Structure and Function of Plasma Fibrin-Stabilizing Factor M. A. Rosenfeld, A. V. Bychkova, A. N. Shegolihin, V. B. Leonova, M. I. Biryukova, E. A. Kostanova, S. D. Razumovskii, and M. L. Konstantinova Functioning Similarity of Physicochemical Regulatory System of the Lipid Peroxidation on the Membrane and Organ Levels L. N. Shishkina, M. A. Klimovich, and M. V. Kozlov Investigation of Tensile Strength of Three New Soft Silicone Elastomers and Comparison With Results of Previously Tested Material W. Wieckiewicz, R. Orlicki, and G. E. Zaikov Analysis of the Infl uence of the Earth's Electromagnetic Radiation on Water by Electrochemical Method A. A. Artamonov, V. M. Misin, and V. V. Tsetlin Formation of Glycoside Bonds Mechanism of Reactions J. A. Djamanbaev, A. D'Amore, and G. E. Zaikov New Additives for Burning of the Fuels E. Gigineishvili, L. Asatiani, N. Lekishvili, A. D'Amore, and G. E. Zaikov The Changes of Dynamic Lipid Structure of Membranes Upon the Effect of Oxazoles In Vitro E. L. Maltseva, V. V. Belov, and N. P. Palmina Magnetic Nanoparticles A. V. Bychkova, M. A. Rosenfeld, V. B. Leonova, O. N. Sorokina, and A. L. Kovarski Heat Resistance of Copolymers of Vinyl Acetate as a Component of Biodegradable Materials E. V. Belova, P. V. Pantyukhov, and V. S. Litvishko Degradation and Stabilization of Polyvinylchloride, Kinetics and Mechanism G. E. Zaikov, M. I. Artsis, L. A. Zimina, and A. D'Amore The Infl uence of UV and Visible Laser Radiation on Layered Organic-Inorganic Nanocomposites Zinc and Copper V. T. Karpukhin, M. M. Malikov, T. I. Borodina, G. E. Valyano, O. A. Gololobova, and D. A. Strikanov Modeling and Optimization of the Design Parameters Scrubber R. R. Usmanova, and G. E. Zaikov Evaluation of Biocompatibility and Antibacterial Properties of Polysulphone/Nanosilver Composites M. Ziabka, A. Mertas, W. Krol, J. Chlopek, and R. Orlicki The Technique of Harvesting the Cancellous Bone from Proximal Tibia for Different Applications in Maxillofacial Surgery P. Malara Experimental Adhesive Biomaterial in the Development of Restorative Concept Towards the Biomimicric Dentistry T. Kupka, R. Orlicki, and G. E. Zaikov Microstructure of Dental Casting Alloy Ni-Cr-Mo (Rodent) A. Korneva, I. Orlicka, K. Sztwiertnia, and G. E. Zaikov Developing the Scientifi c Basis for the Rational Designing Devices Gas Purifi cation R. R. Usmanova and G. E. Zaikov Synthesis of Bioinorganic Polymers V. Kablov, D. Kondrutsky, A. D'Amore, and O. Zineeva Generation of Stable Macroradicals in Lignin on Exposure to Nitrogen Dioxide E. Ya. Davydov, I. S. Gaponova, A. D'Amore, S. M. Lomakin, G. B. Pariiskii, T. V. Pokholok, and G. E. Zaikov.
  • (source: Nielsen Book Data)
The field of bioscience methodologies in physical chemistry stands at the intersection of the power and generality of classical and quantum physics with the minute molecular complexity of chemistry and biology. This book provides an application of physical principles in explaining and rationalizing chemical and biological phenomena. It does not stick to the classical topics that are conventionally considered as part of physical chemistry; instead it presents principles deciphered from a modern point of view, which is the strength of this book.
(source: Nielsen Book Data)
  • The Selective Alkylarens Oxidations with Dioxygen in the Presence of Catalytical Systems L. I. Matienko, L. A. Mosolova, A. D'Amore, and G. E. Zaikov Kinetics and Mechanism Toluene and Cumene Oxidation by Dioxygen With Nickel (II) Complexes L. I. Matienko, L. A. Mosolova, A. D'Amore, and G. E. Zaikov Polymer-Based Solar Cells A. D'Amore, V. Mottaghitalab, and A. K. Haghi Formation of Metal Organic Frameworks Alberto D'Amore and A. K. Haghi Quantum and Wave Characteristics of Spatial-Energy Interactions G. . Korablev and G. . Zaikov Fractal Analysis in Polycondensation Process G. V. Kozlov, G. B. Shustov, G. E. Zaikov, E. M. Pearce, and G. Kirshenbaum Selection of Medical Preparations for Treating Lower Parts of the Urinary System Z. G. Kozlova Improvement of the Functional Properties of lysozyme by Interaction With 5-Methylresorcinol E. I. Martirosova and I. G. Plashchina Introductions in Culture in vitro Rare Bulbous Plants of the Sochi Black Sea Coast (Scilla, Muscari, Galanthus) A. O. Matskiv, A. A. Rybalko, and A. E. Rybalko Effect of Cobalt Content on the Corrosion Resistance in Acid, Alkaline and Ringer Solution of Fe-Co-Zr-Mo-W-B Metallic Glasses D. Klimecka-Tatar, G. Pawlowska, R. Orlicki, and G. E. Zaikov The Methods of the Study the Processes of the Issue to Optical Information Biological Object U. . Pleshkova and A. M. Likhter The Effect of Free Radical Oxidation on Structure and Function of Plasma Fibrin-Stabilizing Factor M. A. Rosenfeld, A. V. Bychkova, A. N. Shegolihin, V. B. Leonova, M. I. Biryukova, E. A. Kostanova, S. D. Razumovskii, and M. L. Konstantinova Functioning Similarity of Physicochemical Regulatory System of the Lipid Peroxidation on the Membrane and Organ Levels L. N. Shishkina, M. A. Klimovich, and M. V. Kozlov Investigation of Tensile Strength of Three New Soft Silicone Elastomers and Comparison With Results of Previously Tested Material W. Wieckiewicz, R. Orlicki, and G. E. Zaikov Analysis of the Infl uence of the Earth's Electromagnetic Radiation on Water by Electrochemical Method A. A. Artamonov, V. M. Misin, and V. V. Tsetlin Formation of Glycoside Bonds Mechanism of Reactions J. A. Djamanbaev, A. D'Amore, and G. E. Zaikov New Additives for Burning of the Fuels E. Gigineishvili, L. Asatiani, N. Lekishvili, A. D'Amore, and G. E. Zaikov The Changes of Dynamic Lipid Structure of Membranes Upon the Effect of Oxazoles In Vitro E. L. Maltseva, V. V. Belov, and N. P. Palmina Magnetic Nanoparticles A. V. Bychkova, M. A. Rosenfeld, V. B. Leonova, O. N. Sorokina, and A. L. Kovarski Heat Resistance of Copolymers of Vinyl Acetate as a Component of Biodegradable Materials E. V. Belova, P. V. Pantyukhov, and V. S. Litvishko Degradation and Stabilization of Polyvinylchloride, Kinetics and Mechanism G. E. Zaikov, M. I. Artsis, L. A. Zimina, and A. D'Amore The Infl uence of UV and Visible Laser Radiation on Layered Organic-Inorganic Nanocomposites Zinc and Copper V. T. Karpukhin, M. M. Malikov, T. I. Borodina, G. E. Valyano, O. A. Gololobova, and D. A. Strikanov Modeling and Optimization of the Design Parameters Scrubber R. R. Usmanova, and G. E. Zaikov Evaluation of Biocompatibility and Antibacterial Properties of Polysulphone/Nanosilver Composites M. Ziabka, A. Mertas, W. Krol, J. Chlopek, and R. Orlicki The Technique of Harvesting the Cancellous Bone from Proximal Tibia for Different Applications in Maxillofacial Surgery P. Malara Experimental Adhesive Biomaterial in the Development of Restorative Concept Towards the Biomimicric Dentistry T. Kupka, R. Orlicki, and G. E. Zaikov Microstructure of Dental Casting Alloy Ni-Cr-Mo (Rodent) A. Korneva, I. Orlicka, K. Sztwiertnia, and G. E. Zaikov Developing the Scientifi c Basis for the Rational Designing Devices Gas Purifi cation R. R. Usmanova and G. E. Zaikov Synthesis of Bioinorganic Polymers V. Kablov, D. Kondrutsky, A. D'Amore, and O. Zineeva Generation of Stable Macroradicals in Lignin on Exposure to Nitrogen Dioxide E. Ya. Davydov, I. S. Gaponova, A. D'Amore, S. M. Lomakin, G. B. Pariiskii, T. V. Pokholok, and G. E. Zaikov.
  • (source: Nielsen Book Data)
The field of bioscience methodologies in physical chemistry stands at the intersection of the power and generality of classical and quantum physics with the minute molecular complexity of chemistry and biology. This book provides an application of physical principles in explaining and rationalizing chemical and biological phenomena. It does not stick to the classical topics that are conventionally considered as part of physical chemistry; instead it presents principles deciphered from a modern point of view, which is the strength of this book.
(source: Nielsen Book Data)
Book
xxiv, 1128, A-58, G-15, PC-2, I-28 p. : color ill. ; 29 cm
  • Chapter 1 Matter, Measurement, and Problem Solving Chapter 2 Atoms and Elements Chapter 3 Molecules, Compounds, and Chemical Equations Chapter 4 Chemical Quantities and Aqueous Reactions Chapter 5 Gases Chapter 6 Thermochemistry Chapter 7 The Quantum-Mechanical Model of the Atom Chapter 8 Periodic Properties of the Elements Chapter 9 Chemical Bonding I: Lewis Theory Chapter 10 Chemical Bonding II: Molecular Shapes, Valence Bond Theory, and Molecular Orbital Theory Chapter 11 Liquids, Solids, and Intermolecular Forces Chapter 12 Solutions Chapter 13 Chemical Kinetics Chapter 14 Chemical Equilibrium Chapter 15 Acids and Bases Chapter 16 Aqueous Ionic Equilibrium Chapter 17 Free Energy and Thermodynamics Chapter 18 Electrochemistry Chapter 19 Radioactivity and Nuclear Chemistry Chapter 20 Organic Chemistry Chapter 21 Biochemistry Chapter 22 Chemistry of the Nonmetals Chapter 23 Metals and Metallurgy Chapter 24 Transition Metals and Coordination Compounds.
  • (source: Nielsen Book Data)
Chemistry: A Molecular Approach, Third Edition is an innovative, pedagogically driven text that explains challenging concepts in a student-oriented manner. Nivaldo Tro creates a rigorous and accessible treatment of general chemistry in the context of relevance and the big picture. Chemistry is presented visually through multi-level images-macroscopic, molecular, and symbolic representations-helping students see the connections between the world they see around them (macroscopic), the atoms and molecules that compose the world (molecular), and the formulas they write down on paper (symbolic). The hallmarks of Dr. Tro's problem-solving approach are reinforced through interactive media that provide students with an office-hour type of environment built around worked examples and expanded coverage on the latest developments in chemistry. Pioneering features allow students to sketch their ideas through new problems, and much more.
(source: Nielsen Book Data)
  • Chapter 1 Matter, Measurement, and Problem Solving Chapter 2 Atoms and Elements Chapter 3 Molecules, Compounds, and Chemical Equations Chapter 4 Chemical Quantities and Aqueous Reactions Chapter 5 Gases Chapter 6 Thermochemistry Chapter 7 The Quantum-Mechanical Model of the Atom Chapter 8 Periodic Properties of the Elements Chapter 9 Chemical Bonding I: Lewis Theory Chapter 10 Chemical Bonding II: Molecular Shapes, Valence Bond Theory, and Molecular Orbital Theory Chapter 11 Liquids, Solids, and Intermolecular Forces Chapter 12 Solutions Chapter 13 Chemical Kinetics Chapter 14 Chemical Equilibrium Chapter 15 Acids and Bases Chapter 16 Aqueous Ionic Equilibrium Chapter 17 Free Energy and Thermodynamics Chapter 18 Electrochemistry Chapter 19 Radioactivity and Nuclear Chemistry Chapter 20 Organic Chemistry Chapter 21 Biochemistry Chapter 22 Chemistry of the Nonmetals Chapter 23 Metals and Metallurgy Chapter 24 Transition Metals and Coordination Compounds.
  • (source: Nielsen Book Data)
Chemistry: A Molecular Approach, Third Edition is an innovative, pedagogically driven text that explains challenging concepts in a student-oriented manner. Nivaldo Tro creates a rigorous and accessible treatment of general chemistry in the context of relevance and the big picture. Chemistry is presented visually through multi-level images-macroscopic, molecular, and symbolic representations-helping students see the connections between the world they see around them (macroscopic), the atoms and molecules that compose the world (molecular), and the formulas they write down on paper (symbolic). The hallmarks of Dr. Tro's problem-solving approach are reinforced through interactive media that provide students with an office-hour type of environment built around worked examples and expanded coverage on the latest developments in chemistry. Pioneering features allow students to sketch their ideas through new problems, and much more.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Permanent reserve
QD453.3 .T759 2014 Unknown
Book
xviii, 335 pages : illustrations ; 24 cm
  • Part I: Spiro Quantum Chemistry Part II: Synthesis of Glitter Part III: Classifying Carbon Allotropes & Hydrides Part IV: Dynamic Elasticity of Carbon Many-Body Perturbation Theory to Second Order Applied on Confined Helium-like Atoms Distance Dependence of Magnetic Field Effect Inside the Confined Heterogeneous Environment: A Case Study With Acridine and N, N-Dimethyl Aniline Inside Aot Reverse Micelles Application of Non-Thermal Plasma For Surface Modification of Polyester Textiles Equalization "Principles" in Chemistry Ring Opening Metathesis Polymerization Is a Versatile Technique for Making Polymeric Biomaterials Triple Density Quantum Similarity Measures and the Tensorial Representation of Molecular Quantum Object Sets Correlation of the Experimental and Theoretical Study for the Cyclisation Reaction of Mesoionic HeterocycleImidazo [1,5 a] Pyridines in Terms of the Density Functional Descriptors Quantum Breathers and Phonon Bound State in the Ferroelectric System Index.
  • (source: Nielsen Book Data)
This book covers a range of new research on computational quantum chemistry, along with a special section devoted to exotic carbon allotropes and spiro quantum theory. The section on spiro quantum theory covers the technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon. The second part of the book covers a range of new research on computational quantum chemistry.
(source: Nielsen Book Data)
  • Part I: Spiro Quantum Chemistry Part II: Synthesis of Glitter Part III: Classifying Carbon Allotropes & Hydrides Part IV: Dynamic Elasticity of Carbon Many-Body Perturbation Theory to Second Order Applied on Confined Helium-like Atoms Distance Dependence of Magnetic Field Effect Inside the Confined Heterogeneous Environment: A Case Study With Acridine and N, N-Dimethyl Aniline Inside Aot Reverse Micelles Application of Non-Thermal Plasma For Surface Modification of Polyester Textiles Equalization "Principles" in Chemistry Ring Opening Metathesis Polymerization Is a Versatile Technique for Making Polymeric Biomaterials Triple Density Quantum Similarity Measures and the Tensorial Representation of Molecular Quantum Object Sets Correlation of the Experimental and Theoretical Study for the Cyclisation Reaction of Mesoionic HeterocycleImidazo [1,5 a] Pyridines in Terms of the Density Functional Descriptors Quantum Breathers and Phonon Bound State in the Ferroelectric System Index.
  • (source: Nielsen Book Data)
This book covers a range of new research on computational quantum chemistry, along with a special section devoted to exotic carbon allotropes and spiro quantum theory. The section on spiro quantum theory covers the technical presentation of the ideas surrounding the emergence of a synthetic, analytical, and theoretical spiro quantum chemistry edifice, as well as a chemical topology scheme that successfully describes molecules and patterns, including the hydrocarbons and allotropes of carbon. The second part of the book covers a range of new research on computational quantum chemistry.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.3 .C63 2014 Unknown
Book
1 online resource : text file, PDF
  • Introduction Absolute pKa Calculations Thermodynamic Cycles Gas Phase Gibbs Free Energy Calculations Solvation Gibbs Free Energy Calculations Pitfalls and Lessons from the Literature Concluding Remarks on Absolute pKa Calculations Relative pKa Calculations Quantitative Structure-Acidity Relationships (QSARs) Basic Principles of the QSAR approach Hammett and Taft Constants The Search for Useful Quantum Chemical Descriptors Alternative Approaches Commercial and Free Programs Oxyacids and Related Compounds Alcohols, Phenols, and Carboxylic Acids Phosphonic Acids Hydroxamic Acids and Oximes Silanols Thiols Nitrogen Acids Aliphatic Amines Anilines Azoles and Some Other Heterocyclics Amino Acids Pyridines and Related Heterocyclics Purines and Pyrimidines Additional Types of Acids Carbon Acids Inorganic Acids Polyprotic Acids Superacids Excited State Acids Acids in Non-aqueous Solvents Deuterium Oxide Dimethyl Sulfoxide Acetonitrile Tetrahydrofuran 1,2-Dichloroethane Other Solvents and Commentary Additional Factors Influencing Acidity and Basicity Thermodynamics Temperature Effects on Acidity Steric Effects and Hydrogen Bonding Isotope Effects Conclusions.
  • (source: Nielsen Book Data)
The pKa of a compound describes its acidity or basicity and, therefore, is one of its most important properties. Its value determines what form of the compound-positive ion, negative ion, or neutral species-will be present under different circumstances. This is crucial to the action and detection of the compound as a drug, pollutant, or other active chemical agent. In many cases it is desirable to predict pKa values prior to synthesizing a compound, and enough is now known about the salient features that influence a molecule's acidity to make these predictions. Computational Approaches for the Prediction of pKa Values describes the insights that have been gained on the intrinsic and extrinsic features that influence a molecule's acidity and discusses the computational methods developed to estimate acidity from a compound's molecular structure. The authors examine the strengths and weaknesses of the theoretical techniques and show how they have been used to obtain information about the acidities of different classes of chemical compounds. The book presents theoretical methods for both general and more specific applications, covering methods for various acids in aqueous solutions-including oxyacids and related compounds, nitrogen acids, inorganic acids, and excited-state acids-as well as acids in nonaqueous solvents. It also considers temperature effects, isotope effects, and other important factors that influence pKa. This book provides a resource for predicting pKa values and understanding the bases for these determinations, which can be helpful in designing better chemicals for future uses.
(source: Nielsen Book Data)
  • Introduction Absolute pKa Calculations Thermodynamic Cycles Gas Phase Gibbs Free Energy Calculations Solvation Gibbs Free Energy Calculations Pitfalls and Lessons from the Literature Concluding Remarks on Absolute pKa Calculations Relative pKa Calculations Quantitative Structure-Acidity Relationships (QSARs) Basic Principles of the QSAR approach Hammett and Taft Constants The Search for Useful Quantum Chemical Descriptors Alternative Approaches Commercial and Free Programs Oxyacids and Related Compounds Alcohols, Phenols, and Carboxylic Acids Phosphonic Acids Hydroxamic Acids and Oximes Silanols Thiols Nitrogen Acids Aliphatic Amines Anilines Azoles and Some Other Heterocyclics Amino Acids Pyridines and Related Heterocyclics Purines and Pyrimidines Additional Types of Acids Carbon Acids Inorganic Acids Polyprotic Acids Superacids Excited State Acids Acids in Non-aqueous Solvents Deuterium Oxide Dimethyl Sulfoxide Acetonitrile Tetrahydrofuran 1,2-Dichloroethane Other Solvents and Commentary Additional Factors Influencing Acidity and Basicity Thermodynamics Temperature Effects on Acidity Steric Effects and Hydrogen Bonding Isotope Effects Conclusions.
  • (source: Nielsen Book Data)
The pKa of a compound describes its acidity or basicity and, therefore, is one of its most important properties. Its value determines what form of the compound-positive ion, negative ion, or neutral species-will be present under different circumstances. This is crucial to the action and detection of the compound as a drug, pollutant, or other active chemical agent. In many cases it is desirable to predict pKa values prior to synthesizing a compound, and enough is now known about the salient features that influence a molecule's acidity to make these predictions. Computational Approaches for the Prediction of pKa Values describes the insights that have been gained on the intrinsic and extrinsic features that influence a molecule's acidity and discusses the computational methods developed to estimate acidity from a compound's molecular structure. The authors examine the strengths and weaknesses of the theoretical techniques and show how they have been used to obtain information about the acidities of different classes of chemical compounds. The book presents theoretical methods for both general and more specific applications, covering methods for various acids in aqueous solutions-including oxyacids and related compounds, nitrogen acids, inorganic acids, and excited-state acids-as well as acids in nonaqueous solvents. It also considers temperature effects, isotope effects, and other important factors that influence pKa. This book provides a resource for predicting pKa values and understanding the bases for these determinations, which can be helpful in designing better chemicals for future uses.
(source: Nielsen Book Data)
Book
1 online resource : text file, PDF
  • Introduction The Theoretical Fundamentals of Macromolecules Fractal Analysis Fractal Physics of Polymer Solutions Fractal Variant of the Mark-Kuhn-Houwink Equation The Intercommunication of Macromolecular Coil in Solution Structure and Characteristics The Temperature Dependence of Fractal Dimension of Macromolecular Coils in Diluted Solutions The Physical Significance and Evaluation Methods of Structural Parameters of Low-Molecular Solvents in Diluted Polymer Solutions The Thermodynamics of Polymers Dissolution The Intercommunication of Structures in Diluted Solution and Polymers Condensed State The Influence of Macromolecular Coil Structure on the Processes of Polymers Synthesis in Solution The Intercommunication of Macromolecule Branching and Macromolecular Coil Structure in Diluted Solutions The Fractal Analysis of Flocculating Ability of Poly(Dimethyl Diallyl Ammonium Chloride) The Mechanisms of Films Formation from Polymer Solutions The Theoretical Description of Polymers Molecular Weight Distribution The Analysis of a Solution of Polymers with Complex Molecular Architecture The Fractal Analysis of Polymer Melts Fractal Characterization of Polymer Melts The Viscosity of Polymer Nanocomposites Melt The Structural Model of Polymers Synthesis Reactions in Melt Index.
  • (source: Nielsen Book Data)
This book provides an important structural analysis of polymer solutions and melts, using fractal analysis. The book covers the theoretical fundamentals of macromolecules fractal analysis. It then goes on to discuss the fractal physics of polymer solutions and the fractal physics of melts. The intended audience of the book includes specialists in chemistry and physics of polymer synthesis and those in the field of polymers and polymer composites processing.
(source: Nielsen Book Data)
  • Introduction The Theoretical Fundamentals of Macromolecules Fractal Analysis Fractal Physics of Polymer Solutions Fractal Variant of the Mark-Kuhn-Houwink Equation The Intercommunication of Macromolecular Coil in Solution Structure and Characteristics The Temperature Dependence of Fractal Dimension of Macromolecular Coils in Diluted Solutions The Physical Significance and Evaluation Methods of Structural Parameters of Low-Molecular Solvents in Diluted Polymer Solutions The Thermodynamics of Polymers Dissolution The Intercommunication of Structures in Diluted Solution and Polymers Condensed State The Influence of Macromolecular Coil Structure on the Processes of Polymers Synthesis in Solution The Intercommunication of Macromolecule Branching and Macromolecular Coil Structure in Diluted Solutions The Fractal Analysis of Flocculating Ability of Poly(Dimethyl Diallyl Ammonium Chloride) The Mechanisms of Films Formation from Polymer Solutions The Theoretical Description of Polymers Molecular Weight Distribution The Analysis of a Solution of Polymers with Complex Molecular Architecture The Fractal Analysis of Polymer Melts Fractal Characterization of Polymer Melts The Viscosity of Polymer Nanocomposites Melt The Structural Model of Polymers Synthesis Reactions in Melt Index.
  • (source: Nielsen Book Data)
This book provides an important structural analysis of polymer solutions and melts, using fractal analysis. The book covers the theoretical fundamentals of macromolecules fractal analysis. It then goes on to discuss the fractal physics of polymer solutions and the fractal physics of melts. The intended audience of the book includes specialists in chemistry and physics of polymer synthesis and those in the field of polymers and polymer composites processing.
(source: Nielsen Book Data)
Book
1 online resource (v, 131 pages) : illustrations (some color).
  • Preface.- Role of step sites on water dissociation on stoichiometric ceria surfaces.- Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters.- A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water.- CompASM: an Amber-VMD alanine scanning mutagenesis plug-in.- Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran.- Proton exchange reactions of C2-C4 alkanes sorbed in ZSM-5 zeolite.- Methods of continuous translation of the origin of the current density revisited.- Density functional and chemical model study of the competition between methyl and hydrogen scission of propane and beta-scission of the propyl radical.- Some recent developments in photoelectrochemical water splitting using nanostructured TiO2: a short review.- Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach.- Effects of mutations on the absorption spectra of copper proteins: a QM/MM study.
  • (source: Nielsen Book Data)
In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.
(source: Nielsen Book Data)
  • Preface.- Role of step sites on water dissociation on stoichiometric ceria surfaces.- Theoretical simulations of the vibrational predissociation spectra of H 5 + and D 5 + clusters.- A simple analysis of the influence of the solvent-induced electronic polarization on the 15N magnetic shielding of pyridine in water.- CompASM: an Amber-VMD alanine scanning mutagenesis plug-in.- Spectrum simulation and decomposition with nuclear ensemble: formal derivation and application to benzene, furan and 2-phenylfuran.- Proton exchange reactions of C2-C4 alkanes sorbed in ZSM-5 zeolite.- Methods of continuous translation of the origin of the current density revisited.- Density functional and chemical model study of the competition between methyl and hydrogen scission of propane and beta-scission of the propyl radical.- Some recent developments in photoelectrochemical water splitting using nanostructured TiO2: a short review.- Structure and electronic properties of hydrated mesityl oxide: a sequential quantum mechanics/molecular mechanics approach.- Effects of mutations on the absorption spectra of copper proteins: a QM/MM study.
  • (source: Nielsen Book Data)
In this Festschrift dedicated to the 65th birthday of Marco Antonio Chaer Nascimento, selected researchers in theoretical chemistry present research highlights on major developments in the field. Originally published in the journal Theoretical Chemistry Accounts, these outstanding contributions are now available in a hardcover print format. This volume will be of benefit in particular to those research groups and libraries that have chosen to have only electronic access to the journal. It also provides valuable content for all researchers in theoretical chemistry.
(source: Nielsen Book Data)
Book
xvii, 128 pages : illustrations ; 18 cm.
  • Preface -- 1. Matter from the inside -- 2. Matter from the outside -- 3. Bridging matter -- 4. States of matter -- 5. Changing the state of matter -- 6. Changing the identity of matter -- 7. Investigating matter -- Further reading -- Index.
  • (source: Nielsen Book Data)
With the development of a variety of exciting new areas of research involving computational chemistry, nano- and smart materials, and applications of the recently discovered graphene, there can be no doubt that physical chemistry is a vitally important field. It is also perceived as the most daunting branch of chemistry, being necessarily grounded in physics and mathematics and drawing as it does on quantum mechanics, thermodynamics, and statistical thermodynamics. With his typical clarity and hardly a formula in sight, Peter Atkins' Very Short Introduction explores the contributions physical chemistry has made to all branches of chemistry. Providing an insight into its central concepts Atkins reveals the cultural contributions physical chemistry has made to our understanding of the natural world. ABOUT THE SERIES: The Very Short Introductions series from Oxford University Press contains hundreds of titles in almost every subject area. These pocket-sized books are the perfect way to get ahead in a new subject quickly. Our expert authors combine facts, analysis, perspective, new ideas, and enthusiasm to make interesting and challenging topics highly readable.
(source: Nielsen Book Data)
  • Preface -- 1. Matter from the inside -- 2. Matter from the outside -- 3. Bridging matter -- 4. States of matter -- 5. Changing the state of matter -- 6. Changing the identity of matter -- 7. Investigating matter -- Further reading -- Index.
  • (source: Nielsen Book Data)
With the development of a variety of exciting new areas of research involving computational chemistry, nano- and smart materials, and applications of the recently discovered graphene, there can be no doubt that physical chemistry is a vitally important field. It is also perceived as the most daunting branch of chemistry, being necessarily grounded in physics and mathematics and drawing as it does on quantum mechanics, thermodynamics, and statistical thermodynamics. With his typical clarity and hardly a formula in sight, Peter Atkins' Very Short Introduction explores the contributions physical chemistry has made to all branches of chemistry. Providing an insight into its central concepts Atkins reveals the cultural contributions physical chemistry has made to our understanding of the natural world. ABOUT THE SERIES: The Very Short Introductions series from Oxford University Press contains hundreds of titles in almost every subject area. These pocket-sized books are the perfect way to get ahead in a new subject quickly. Our expert authors combine facts, analysis, perspective, new ideas, and enthusiasm to make interesting and challenging topics highly readable.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.3 .A855 2014 Unknown
Book
xvi, 951 pages : illustrations ; 28 cm
  • Introduction and Gas Laws-- Kinetic Theory of Gases-- The First Law of Thermodynamics-- The Second Law of Thermodynamics-- Gibbs and Helmholtz Energies-- Nonelectrolyte Solutions-- Electrolyte Solutions-- Chemical Equilibrium-- Electrochemistry-- Quantum Mechanics-- Application of Quantum Mechanics to Spectroscopy-- Electronic Structure of Atoms-- Molecular Electronic Structure and the Chemical Bond-- Electronic Spectroscopy and Magnetic Resonance Spectroscopy-- Photochemistry-- Chemical Kinetics-- Intermolecular Forces-- The Solid State-- The Liquid State-- Statistical Thermodynamics-- Appendices-- Glossary-- Answers to Even-Numbered Computational Problems-- Index.
  • (source: Nielsen Book Data)
NOT AVAILABLE IN NORTH AMERICA AND CANADA Following in the wake of Chang's two other best-selling physical chemistry textbooks (Physical Chemistry for the Chemical and Biological Sciences and Physical Chemistry for the Biosciences), this new title introduces laser spectroscopist Jay Thoman (Williams College) as co-author. This new text has been comprehensively reviewed regarding both level and scope. Targeted to a mainstream physical chemistry course, this text features extensively revised chapters on quantum mechanics and spectroscopy, many new chapter-ending problems, and updated references, while biological topics have been largely relegated to the previous two textbooks. Other topics added include the law of corresponding states, the Joule-Thomson effect, the meaning of entropy, multiple equilibria and coupled reactions, and chemiluminescence and bioluminescence. One way to gauge the level of this new text is that students who have used it will be well prepared for their GRE exams in the subject. Careful pedagogy and clear writing throughout combine to make this an excellent choice for your physical chemistry course. Support materials are available for this title. For more details please contact booksales@rsc.org "With expanded coverage and more depth, Chang's newest book is now an excellent fit for students on the BS Chemistry track. It will provide them with the rigorous foundations knowledge they need for advanced studies in any sub-disciplines of chemistry, including biochemistry/biophysical chemistry." -Taina Chao, State University of New York, Purchase "The most student-friendly P Chem text available." -Howard Mayne, University of New Hampshire "I expect this textbook will be high on the list for instructors seeking a thorough, integrated approach to the subject of Physical Chemistry, combined with a clear and conversational writing style." -Alan Van Orden, Colorado State University "The new Chang/Thoman text is very good. I like its approach and it is very easy to read and well organized. In my opinion, this text makes a much better approach to Physical Chemistry than the other texts currently sold." -Mark Obrovac, Dalhousie University.
(source: Nielsen Book Data)
  • Introduction and Gas Laws-- Kinetic Theory of Gases-- The First Law of Thermodynamics-- The Second Law of Thermodynamics-- Gibbs and Helmholtz Energies-- Nonelectrolyte Solutions-- Electrolyte Solutions-- Chemical Equilibrium-- Electrochemistry-- Quantum Mechanics-- Application of Quantum Mechanics to Spectroscopy-- Electronic Structure of Atoms-- Molecular Electronic Structure and the Chemical Bond-- Electronic Spectroscopy and Magnetic Resonance Spectroscopy-- Photochemistry-- Chemical Kinetics-- Intermolecular Forces-- The Solid State-- The Liquid State-- Statistical Thermodynamics-- Appendices-- Glossary-- Answers to Even-Numbered Computational Problems-- Index.
  • (source: Nielsen Book Data)
NOT AVAILABLE IN NORTH AMERICA AND CANADA Following in the wake of Chang's two other best-selling physical chemistry textbooks (Physical Chemistry for the Chemical and Biological Sciences and Physical Chemistry for the Biosciences), this new title introduces laser spectroscopist Jay Thoman (Williams College) as co-author. This new text has been comprehensively reviewed regarding both level and scope. Targeted to a mainstream physical chemistry course, this text features extensively revised chapters on quantum mechanics and spectroscopy, many new chapter-ending problems, and updated references, while biological topics have been largely relegated to the previous two textbooks. Other topics added include the law of corresponding states, the Joule-Thomson effect, the meaning of entropy, multiple equilibria and coupled reactions, and chemiluminescence and bioluminescence. One way to gauge the level of this new text is that students who have used it will be well prepared for their GRE exams in the subject. Careful pedagogy and clear writing throughout combine to make this an excellent choice for your physical chemistry course. Support materials are available for this title. For more details please contact booksales@rsc.org "With expanded coverage and more depth, Chang's newest book is now an excellent fit for students on the BS Chemistry track. It will provide them with the rigorous foundations knowledge they need for advanced studies in any sub-disciplines of chemistry, including biochemistry/biophysical chemistry." -Taina Chao, State University of New York, Purchase "The most student-friendly P Chem text available." -Howard Mayne, University of New Hampshire "I expect this textbook will be high on the list for instructors seeking a thorough, integrated approach to the subject of Physical Chemistry, combined with a clear and conversational writing style." -Alan Van Orden, Colorado State University "The new Chang/Thoman text is very good. I like its approach and it is very easy to read and well organized. In my opinion, this text makes a much better approach to Physical Chemistry than the other texts currently sold." -Mark Obrovac, Dalhousie University.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.3 .C43 2014 Unknown
Book
1 online resource : text file, PDF
  • Physical Chemistry of Macromolecules Introduction Molecular Mass of Macromolecules and Its Distribution Macromolecules in Solution Characterization of Polymers by Flowing Transitions in Polymers Crystallization and Melting of Polymers Polymers in Non-Equilibrium Liquid-Crystalline Order in Polymers Surface Tension of Polymer Blends and Random Copolymers Macromolecules in Condensed State Molecular Characterization of Synthetic Polymers by Means of Liquid Chromotography Impedance Spectroscopy: Basic Concepts and Application for Electrical Evaluation of Polymer Electrolytes Advanced Polymeric Materials: Macro to Nanoscales Preparation of Chitin-Based Nano-Fibrous and Composite Materials Using Ionic Liquids Fire-Resist Bio-Based Polyurethane for Structural Foam Application Graft Copolymers of Guar Gum vs Alginate: Drug Delivery Applications and Implications Thermal Properties of Poly(hydroxyalkanoates) Replacing Petroleum-Based Tackifier in Tire Compounds with Environmental Friendly Palm Oil-Based Resins Miscibility, Thermal Properties and Ion Conductivity of Poly)ethylene Oxide) and Polyacrylate Poly(trimethylene Terephthalate: The New Generation of Engineering Thermoplastic Polyester Index.
  • (source: Nielsen Book Data)
Knowledge of thermodynamics is a necessary tool for describing and understanding the physical behavior of new polymers and polymer blends, for instance, compatibility of components, rheological properties, morphological features, and mechanical properties. This book summarizes in a fairly comprehensive manner the recent technical research accomplishments in the area of thermodynamics, characterizations, and applications of polymer blends. In the first chapter, an overview of thermodynamic behaviors of non-equilibrium polymers is discussed. In the consecutive chapters, different properties of polymer blends are discussed, including surface tension, transition, crystallization, morphology, and flow behaviors. Miscibility and molecular characterizations of polymer blends are also covered in this book. Applications to various systems are reviewed, and both experimental concerns and references are supplied. In this time when science has such a strong tendency for diversification, this book demonstrates the relevance of one's own activities with neighboring branches of activities. This book is unique in that the mathematics of the physics of polymers are minimized in order not to discourage the interest of a junior or senior undergraduate or new graduate student by an unnecessarily rigorous approach. However, book aims to widen the readers' general knowledge with a better understanding of the physics of polymers. Applications to various systems are reviewed, and both experimental concerns and references are supplied.
(source: Nielsen Book Data)
  • Physical Chemistry of Macromolecules Introduction Molecular Mass of Macromolecules and Its Distribution Macromolecules in Solution Characterization of Polymers by Flowing Transitions in Polymers Crystallization and Melting of Polymers Polymers in Non-Equilibrium Liquid-Crystalline Order in Polymers Surface Tension of Polymer Blends and Random Copolymers Macromolecules in Condensed State Molecular Characterization of Synthetic Polymers by Means of Liquid Chromotography Impedance Spectroscopy: Basic Concepts and Application for Electrical Evaluation of Polymer Electrolytes Advanced Polymeric Materials: Macro to Nanoscales Preparation of Chitin-Based Nano-Fibrous and Composite Materials Using Ionic Liquids Fire-Resist Bio-Based Polyurethane for Structural Foam Application Graft Copolymers of Guar Gum vs Alginate: Drug Delivery Applications and Implications Thermal Properties of Poly(hydroxyalkanoates) Replacing Petroleum-Based Tackifier in Tire Compounds with Environmental Friendly Palm Oil-Based Resins Miscibility, Thermal Properties and Ion Conductivity of Poly)ethylene Oxide) and Polyacrylate Poly(trimethylene Terephthalate: The New Generation of Engineering Thermoplastic Polyester Index.
  • (source: Nielsen Book Data)
Knowledge of thermodynamics is a necessary tool for describing and understanding the physical behavior of new polymers and polymer blends, for instance, compatibility of components, rheological properties, morphological features, and mechanical properties. This book summarizes in a fairly comprehensive manner the recent technical research accomplishments in the area of thermodynamics, characterizations, and applications of polymer blends. In the first chapter, an overview of thermodynamic behaviors of non-equilibrium polymers is discussed. In the consecutive chapters, different properties of polymer blends are discussed, including surface tension, transition, crystallization, morphology, and flow behaviors. Miscibility and molecular characterizations of polymer blends are also covered in this book. Applications to various systems are reviewed, and both experimental concerns and references are supplied. In this time when science has such a strong tendency for diversification, this book demonstrates the relevance of one's own activities with neighboring branches of activities. This book is unique in that the mathematics of the physics of polymers are minimized in order not to discourage the interest of a junior or senior undergraduate or new graduate student by an unnecessarily rigorous approach. However, book aims to widen the readers' general knowledge with a better understanding of the physics of polymers. Applications to various systems are reviewed, and both experimental concerns and references are supplied.
(source: Nielsen Book Data)
Book
xvi, 575 pages : color illustrations ; 26 cm
  • Quantum Chemistry and Molecular Interactions A Introduction: Tools from Math and Physics A.1 Mathematics A.2 Classical physics I Atomic Structure 1 Classical and Quantum Mechanics 1.1 Introduction to the Text 1.2 The Classical World 1.3 The Quantum World 1.4 One-Electron Atoms 1.5 Merging the Classical and Quantum Worlds 2 The Schrodinger Equation 2.1 Mathematical Tools of Quantum Mechanics 2.2 Fundamental Examples 3 One-Electron Atoms 3.1 Solving the One-Electron Atom Schrodinger Equation 3.2 The One-Electron Atom Orbital Wavefunctions 3.3 Electric Dipole Interactions 3.4 Magnetic Dipole Interactions 4 Many-Electron Atoms 4.1 Many-Electron Spatial Wavefunctions 4.2 Approximate Solution to the Schrodinger Equation 4.3 Spin Wavefunctions and Symmetrization 4.4 Vector Model of the Many-Electron Atom 4.5 Periodicity of the Elements 4.6 Atomic Structure: The Key to Chemistry II Molecular Structure 5 Chemical Bonds 5.1 The Molecular Hamiltonian 5.2 The Molecular Wavefunction 5.3 Covalent Bonds in Polyatomic Molecules 5.4 Non-Covalent Bonds 5.5 Nuclear Magnetic Resonance Spectroscopy 6 Molecular Symmetry 6.1 Group Theory 6.2 Symmetry Representations for Wavefunctions 6.3 Selection Rules 6.4 Selected Applications 7 Electronic States of Molecules 7.1 Molecular Orbital Configurations 7.2 Electronic States 7.3 Computational Methods for Molecules 7.4 Energetic Processes 8 Vibrational States of Molecules 8.1 The Vibrational Schrodinger Equation 8.2 Vibrational Energy Levels in Diatomics 8.3 Vibrations in Polyatomics 8.4 Spectroscopy of Vibrational States 9 Rotational States of Molecules 9.1 Rotations in Diatomics 9.2 Rotations in Polyatomics 9.3 Spectroscopy of Rotational States III Molecular Interactions 10 Intermolecular Forces 10.1 Intermolecular Potential Energy 10.2 Molecular Collisions 11 Nanoscale Chemical Structure 11.1 The Nano Scale 11.2 Clusters 11.3 Macromolecules 12 The Structure of Liquids 12.1 The Qualitative Nature of Liquids 12.2 Weakly Bonded Pure Liquids 12.3 Solvation 13 The Structure of Solids 13.1 Amorphous Solids, Polymers, and Crystals 13.2 Symmetry in Crystals 13.3 Bonding Mechanisms and Properties of Crystals 13.4 Wavefunctions and Energies of Solids.
  • (source: Nielsen Book Data)
Fostering an intuitive understanding of chemistry, Physical Chemistry: Quantum Chemistry and Molecular Interactions presents the structure and unity of the theoretical framework of modern chemistry in a progression from the single atom to the bulk limit. Employing an engaging and somewhat informal tone, this new text delivers a superior presentation of rigorous mathematical derivations, thermodynamics, and quantum theory and mechanics in a manner that is accessible and applicable to diverse readers.
(source: Nielsen Book Data)
  • Quantum Chemistry and Molecular Interactions A Introduction: Tools from Math and Physics A.1 Mathematics A.2 Classical physics I Atomic Structure 1 Classical and Quantum Mechanics 1.1 Introduction to the Text 1.2 The Classical World 1.3 The Quantum World 1.4 One-Electron Atoms 1.5 Merging the Classical and Quantum Worlds 2 The Schrodinger Equation 2.1 Mathematical Tools of Quantum Mechanics 2.2 Fundamental Examples 3 One-Electron Atoms 3.1 Solving the One-Electron Atom Schrodinger Equation 3.2 The One-Electron Atom Orbital Wavefunctions 3.3 Electric Dipole Interactions 3.4 Magnetic Dipole Interactions 4 Many-Electron Atoms 4.1 Many-Electron Spatial Wavefunctions 4.2 Approximate Solution to the Schrodinger Equation 4.3 Spin Wavefunctions and Symmetrization 4.4 Vector Model of the Many-Electron Atom 4.5 Periodicity of the Elements 4.6 Atomic Structure: The Key to Chemistry II Molecular Structure 5 Chemical Bonds 5.1 The Molecular Hamiltonian 5.2 The Molecular Wavefunction 5.3 Covalent Bonds in Polyatomic Molecules 5.4 Non-Covalent Bonds 5.5 Nuclear Magnetic Resonance Spectroscopy 6 Molecular Symmetry 6.1 Group Theory 6.2 Symmetry Representations for Wavefunctions 6.3 Selection Rules 6.4 Selected Applications 7 Electronic States of Molecules 7.1 Molecular Orbital Configurations 7.2 Electronic States 7.3 Computational Methods for Molecules 7.4 Energetic Processes 8 Vibrational States of Molecules 8.1 The Vibrational Schrodinger Equation 8.2 Vibrational Energy Levels in Diatomics 8.3 Vibrations in Polyatomics 8.4 Spectroscopy of Vibrational States 9 Rotational States of Molecules 9.1 Rotations in Diatomics 9.2 Rotations in Polyatomics 9.3 Spectroscopy of Rotational States III Molecular Interactions 10 Intermolecular Forces 10.1 Intermolecular Potential Energy 10.2 Molecular Collisions 11 Nanoscale Chemical Structure 11.1 The Nano Scale 11.2 Clusters 11.3 Macromolecules 12 The Structure of Liquids 12.1 The Qualitative Nature of Liquids 12.2 Weakly Bonded Pure Liquids 12.3 Solvation 13 The Structure of Solids 13.1 Amorphous Solids, Polymers, and Crystals 13.2 Symmetry in Crystals 13.3 Bonding Mechanisms and Properties of Crystals 13.4 Wavefunctions and Energies of Solids.
  • (source: Nielsen Book Data)
Fostering an intuitive understanding of chemistry, Physical Chemistry: Quantum Chemistry and Molecular Interactions presents the structure and unity of the theoretical framework of modern chemistry in a progression from the single atom to the bulk limit. Employing an engaging and somewhat informal tone, this new text delivers a superior presentation of rigorous mathematical derivations, thermodynamics, and quantum theory and mechanics in a manner that is accessible and applicable to diverse readers.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.3 .C655 2013 Unknown
Book
1 online resource (viii, 436 pages) : illustrations (some color).
  • The Scanning Tunneling Microscopy of Adsorbed Molecules on Semiconductors: Some Theoretical Answers to the Experimental Observations
  • Ph. Sonnet and D. Riedel
  • Models of the Interfaces in Superhard TiN-Based Heterostructures and Nanocomposites from First-Principles
  • Volodymyr Ivashchenko, Stan Veprek, Patrice Turchi, Jerzy Leszczynski
  • Investigating Complex Surface Phenomena using Density Functional Theory
  • Raghani Pushpa
  • Growth Mechanism, Energetics and CO Affinities of Vanadium Doped Gold Clusters, AunV with n = 1 {u2013} 20
  • Pham Vu Nhat, Jerzy Leszczynski, and Minh Tho Nguyen
  • Structure and Energetics of Polyhedral Oligomeric Silsesquioxane (T8 , T10, T12{u2013}POSS) Cages with Atomic and Ionic Lithium Species
  • Habib U. Rehman and Steven R. Gwaltney
  • Intrinsic Magnetism in Single-Walled Carbon Nanotubes of Finite Length
  • Frank Hagelberg, Jianhua Wu, Anahita Ayasoufi, Jerzy Leszczynski
  • Modelability Criteria: Statistical Characteristics Estimating Feasibility to Build Predictive QSAR Models for a Dataset
  • Alexander Golbraikh, Denis Fourches, Alexander Sedykh, Eugene Muratov, Inta Liepina, Alexander Tropsha
  • A Combination of the Sequential QM/MM and the Free Energy Gradient Methodologies with Applications
  • H.C. Georg, T. S. Fernandes, S. Canuto, N.Takenaka, Y.Kitamura, and M. Nagaoka
  • A Physics Based Hydrologic Modeling Approach to Simulate Non-point Source Pollution for the Purposes of Calculating TMDLs and Designing Abatement Measures
  • Nawa Raj Pradhan, Charles W. Downer, Billy E. Johnson
  • Advances in In Silico Research on Nerve Agents
  • Devashis Majumdar, Szczepan Roszak, Jing Wang, Tandabany C. Dinadayalane, Bakhtiyor Rasulev, Henry Pinto and Jerzy Leszczynski
  • Valence Anions of DNA-Related Systems in the Gas Phase. Computational and Anion Photoelectron spectroscopy Studies
  • Piotr Storoniak, Haopeng Wang, Yeon Jae Ko, Xiang Li, Sarah T. Stokes, Soren Eustis, Kit H. Bowen, and Janusz Rak
  • Hints from Computational Chemistry: Mechanisms of Transformations of Simple Species into Purine and Adenine by Feasible Abiotic Processes
  • Jing Wang, Jiande Gu and Jerzy Leszczynski.
Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference Conference on Current Trends on Computational Chemistry (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists, and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate, and PhD students as well as established researchers.
  • The Scanning Tunneling Microscopy of Adsorbed Molecules on Semiconductors: Some Theoretical Answers to the Experimental Observations
  • Ph. Sonnet and D. Riedel
  • Models of the Interfaces in Superhard TiN-Based Heterostructures and Nanocomposites from First-Principles
  • Volodymyr Ivashchenko, Stan Veprek, Patrice Turchi, Jerzy Leszczynski
  • Investigating Complex Surface Phenomena using Density Functional Theory
  • Raghani Pushpa
  • Growth Mechanism, Energetics and CO Affinities of Vanadium Doped Gold Clusters, AunV with n = 1 {u2013} 20
  • Pham Vu Nhat, Jerzy Leszczynski, and Minh Tho Nguyen
  • Structure and Energetics of Polyhedral Oligomeric Silsesquioxane (T8 , T10, T12{u2013}POSS) Cages with Atomic and Ionic Lithium Species
  • Habib U. Rehman and Steven R. Gwaltney
  • Intrinsic Magnetism in Single-Walled Carbon Nanotubes of Finite Length
  • Frank Hagelberg, Jianhua Wu, Anahita Ayasoufi, Jerzy Leszczynski
  • Modelability Criteria: Statistical Characteristics Estimating Feasibility to Build Predictive QSAR Models for a Dataset
  • Alexander Golbraikh, Denis Fourches, Alexander Sedykh, Eugene Muratov, Inta Liepina, Alexander Tropsha
  • A Combination of the Sequential QM/MM and the Free Energy Gradient Methodologies with Applications
  • H.C. Georg, T. S. Fernandes, S. Canuto, N.Takenaka, Y.Kitamura, and M. Nagaoka
  • A Physics Based Hydrologic Modeling Approach to Simulate Non-point Source Pollution for the Purposes of Calculating TMDLs and Designing Abatement Measures
  • Nawa Raj Pradhan, Charles W. Downer, Billy E. Johnson
  • Advances in In Silico Research on Nerve Agents
  • Devashis Majumdar, Szczepan Roszak, Jing Wang, Tandabany C. Dinadayalane, Bakhtiyor Rasulev, Henry Pinto and Jerzy Leszczynski
  • Valence Anions of DNA-Related Systems in the Gas Phase. Computational and Anion Photoelectron spectroscopy Studies
  • Piotr Storoniak, Haopeng Wang, Yeon Jae Ko, Xiang Li, Sarah T. Stokes, Soren Eustis, Kit H. Bowen, and Janusz Rak
  • Hints from Computational Chemistry: Mechanisms of Transformations of Simple Species into Purine and Adenine by Feasible Abiotic Processes
  • Jing Wang, Jiande Gu and Jerzy Leszczynski.
Theoretical and Computational Chemistry research has made unparalleled advancements in understanding every expanding area of science and technology. This volume presents the state-of-the-art research and progress made by eminent researchers in the area of theoretical computational chemistry and physics. The title mirrors the name of the annual international conference Conference on Current Trends on Computational Chemistry (CCTCC) which has become a popular discussion ground for eminent Theoretical and Computational Chemists and has been honored by the presence of several Nobel Laureates. Practical Aspects of Computational Chemistry III is aimed at theoretical and computational chemists, physical chemists, material scientists, and those who are eager to apply computational chemistry methods to problems of chemical and physical importance. The book is a valuable resource for undergraduate, graduate, and PhD students as well as established researchers.

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