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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
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
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
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
xvi, 509 pages : illustrations ; 29 cm.
With the emergence of nanoscience and technology in the 21st century, research has shifted its focus on the quantum and optical dynamical properties of matter such as atoms, molecules, and solids which are properly characterised in their dynamic state. Quantum and Optical Dynamics of Matter for Nanotechnology carefully addresses the general key concepts in this field and expands to more complex discussions on the most recent advancements and techniques related to quantum dynamics within the confines of physical chemistry. This book is an essential reference for academics, researchers, professionals, and advanced students interested in a modern discussion of a niche area of nanotechnology.
(source: Nielsen Book Data)
With the emergence of nanoscience and technology in the 21st century, research has shifted its focus on the quantum and optical dynamical properties of matter such as atoms, molecules, and solids which are properly characterised in their dynamic state. Quantum and Optical Dynamics of Matter for Nanotechnology carefully addresses the general key concepts in this field and expands to more complex discussions on the most recent advancements and techniques related to quantum dynamics within the confines of physical chemistry. This book is an essential reference for academics, researchers, professionals, and advanced students interested in a modern discussion of a niche area of nanotechnology.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD462 .P88 2014 Unknown
Book
x, 283 pages : illustrations (some color) ; 25 cm
  • Preface INTRODUCTION Reaction Mechanism and Reaction Arrows Properties and Characteristics of a Reaction Summary CARBOCATIONS Introduction History Sturctures and Geometry of Carbocations Generation of Carbocation Carbocation Stability Detection of Carbocations Fate of Carbocations Nonclassical Carbocations Radical Cations Summary CARBANIONS Structure and Geometry of Carbanions Generation of Carbanions Stability of Carbanions Reactions of Carbanions Enolate Reactions with Carbonyl Groups Rearrangements of Carbanions Chiral Carbanions Carbanions and Tautomerism Summary RADICALS Introduction Detection and Characterization of Radicals Structure and Bonding of Radicals Generation of Free Radicals Stability of Radicals Reactions of Free Radicals Stereochemistry of Radical Reactions Biradicals Summary CARBENES Structure and Geometry of Carbenes Generation of Carbenes Reactions of Carbenes Carbenes and Carbene Ligands in Organometallic Chemistry Summary NITRENES Introduction Structure and Reactivity Generation of Nitrenes Reactions of Nitrenes Summary MISCELLANEOUS INTERMEDIATES Arynes Ketenes and Cumulenes ortho-Quinone Methides Zwitterions and Dipoles Antiaromatic Systems Tetrahedral Intermediates Summary Index.
  • (source: Nielsen Book Data)
Most reactions in organic chemistry do not proceed in a single step but rather take several steps to yield the desired product. In the course of these multi-step reaction sequences, short-lived intermediates can be generated that quickly convert into other intermediates, reactants, products or side products. As these intermediates are highly reactive, they cannot usually be isolated, but their existence and structure can be proved by theoretical and experimental methods. Using the information obtained, researchers can better understand the underlying reaction mechanism of a certain organic transformation and thus develop novel strategies for efficient organic synthesis. The chapters are clearly structured and are arranged according to the type of intermediate, providing information on the formation, characterization, stereochemistry, stability, and reactivity of the intermediates. Additionally, representative examples and a problem section with different levels of difficulty are included for self-testing the newly acquired knowledge. By providing a deeper understanding of the underlying concepts, this is a musthave reference for PhD and Master Students in organic chemistry, as well as a valuable source of information for chemists in academia and industry working in the field. It is also ideal as primary or supplementary reading for courses on organic chemistry, physical organic chemistry or analytical chemistry.
(source: Nielsen Book Data)
  • Preface INTRODUCTION Reaction Mechanism and Reaction Arrows Properties and Characteristics of a Reaction Summary CARBOCATIONS Introduction History Sturctures and Geometry of Carbocations Generation of Carbocation Carbocation Stability Detection of Carbocations Fate of Carbocations Nonclassical Carbocations Radical Cations Summary CARBANIONS Structure and Geometry of Carbanions Generation of Carbanions Stability of Carbanions Reactions of Carbanions Enolate Reactions with Carbonyl Groups Rearrangements of Carbanions Chiral Carbanions Carbanions and Tautomerism Summary RADICALS Introduction Detection and Characterization of Radicals Structure and Bonding of Radicals Generation of Free Radicals Stability of Radicals Reactions of Free Radicals Stereochemistry of Radical Reactions Biradicals Summary CARBENES Structure and Geometry of Carbenes Generation of Carbenes Reactions of Carbenes Carbenes and Carbene Ligands in Organometallic Chemistry Summary NITRENES Introduction Structure and Reactivity Generation of Nitrenes Reactions of Nitrenes Summary MISCELLANEOUS INTERMEDIATES Arynes Ketenes and Cumulenes ortho-Quinone Methides Zwitterions and Dipoles Antiaromatic Systems Tetrahedral Intermediates Summary Index.
  • (source: Nielsen Book Data)
Most reactions in organic chemistry do not proceed in a single step but rather take several steps to yield the desired product. In the course of these multi-step reaction sequences, short-lived intermediates can be generated that quickly convert into other intermediates, reactants, products or side products. As these intermediates are highly reactive, they cannot usually be isolated, but their existence and structure can be proved by theoretical and experimental methods. Using the information obtained, researchers can better understand the underlying reaction mechanism of a certain organic transformation and thus develop novel strategies for efficient organic synthesis. The chapters are clearly structured and are arranged according to the type of intermediate, providing information on the formation, characterization, stereochemistry, stability, and reactivity of the intermediates. Additionally, representative examples and a problem section with different levels of difficulty are included for self-testing the newly acquired knowledge. By providing a deeper understanding of the underlying concepts, this is a musthave reference for PhD and Master Students in organic chemistry, as well as a valuable source of information for chemists in academia and industry working in the field. It is also ideal as primary or supplementary reading for courses on organic chemistry, physical organic chemistry or analytical chemistry.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD476 .S54 2014 Unknown
Book
vi, 729 p. : ill. ; 25 cm
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD462 .A85 2014 SUPPL Unknown
Book
xxiii, 591 p. : ill. (some col.) ; 27 cm
  • 1. The properties of gases -- 2. Thermodynamics: the First Law -- 3. Thermodynamics: applications of the First Law -- 4. Thermodynamics: the Second Law -- 5. Physical equilibria: pure substances -- 6. Physical equilibria: the properties of mixtures -- 7. Chemical equilibrium: the principles -- 8. Chemical equilibrium: solutions -- 9. Chemical equilibrium: electrochemistry -- 10. Chemical kinetics: the rates of reactions -- 11. Chemical kinetics: accounting for the rate laws -- 12. Quantum theory -- 13. Quantum chemistry: atomic structure -- 14. Quantum chemistry: the chemical bond -- 15. Molecular interactions -- 16. Macromolecules and aggregates -- 17. Metallic, ionic, and covalent solids -- 18. Solid surfaces -- 19. Spectroscopy: molecular rotations and vibrations -- 20. Spectroscopy: electronic transitions -- 21. Spectroscopy: magnetic resonance -- 22. Statistical thermodynamics -- Resource section.
  • (source: Nielsen Book Data)
Getting to grips with physical chemistry can be a daunting task. With new concepts to understand and a large amount of mathematics to master, it is no wonder that students can sometimes find it overwhelming. Elements of Physical Chemistry has been carefully developed to help readers increase their confidence when using physics and mathematics to answer fundamental questions about the structure of molecules, how chemical reactions take place, and why materials behave the way they do. The content is tightly focussed and well-matched to undergraduate courses, making it easy to find the information needed. Topics are covered in a clear, easy-to-follow style, using everyday examples to help students to visualise concepts and procedures that can otherwise seem very abstract. This edition sees further development of the learning features. These include Chemist's toolkits, which provide a reminder of mathematical techniques and introductory chemistry and physics needed to follow material in the chapters; worked examples providing step-by-step routes through problems; brief illustrations explaining how to use equations to calculate numerical values; and self-tests that allow students to check their understanding. On the accompanying Online Resource Centre, students have access to multiple choice questions and Webcasts, short videos showing, step-by-step, how to solve an exercise. For lecturers, there is a test bank and the figures from the text are available to download.
(source: Nielsen Book Data)
  • 1. The properties of gases -- 2. Thermodynamics: the First Law -- 3. Thermodynamics: applications of the First Law -- 4. Thermodynamics: the Second Law -- 5. Physical equilibria: pure substances -- 6. Physical equilibria: the properties of mixtures -- 7. Chemical equilibrium: the principles -- 8. Chemical equilibrium: solutions -- 9. Chemical equilibrium: electrochemistry -- 10. Chemical kinetics: the rates of reactions -- 11. Chemical kinetics: accounting for the rate laws -- 12. Quantum theory -- 13. Quantum chemistry: atomic structure -- 14. Quantum chemistry: the chemical bond -- 15. Molecular interactions -- 16. Macromolecules and aggregates -- 17. Metallic, ionic, and covalent solids -- 18. Solid surfaces -- 19. Spectroscopy: molecular rotations and vibrations -- 20. Spectroscopy: electronic transitions -- 21. Spectroscopy: magnetic resonance -- 22. Statistical thermodynamics -- Resource section.
  • (source: Nielsen Book Data)
Getting to grips with physical chemistry can be a daunting task. With new concepts to understand and a large amount of mathematics to master, it is no wonder that students can sometimes find it overwhelming. Elements of Physical Chemistry has been carefully developed to help readers increase their confidence when using physics and mathematics to answer fundamental questions about the structure of molecules, how chemical reactions take place, and why materials behave the way they do. The content is tightly focussed and well-matched to undergraduate courses, making it easy to find the information needed. Topics are covered in a clear, easy-to-follow style, using everyday examples to help students to visualise concepts and procedures that can otherwise seem very abstract. This edition sees further development of the learning features. These include Chemist's toolkits, which provide a reminder of mathematical techniques and introductory chemistry and physics needed to follow material in the chapters; worked examples providing step-by-step routes through problems; brief illustrations explaining how to use equations to calculate numerical values; and self-tests that allow students to check their understanding. On the accompanying Online Resource Centre, students have access to multiple choice questions and Webcasts, short videos showing, step-by-step, how to solve an exercise. For lecturers, there is a test bank and the figures from the text are available to download.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.3 .A85 2013 Unknown

11. Physical chemistry [2013]

Book
xix, 1,103 p. : col. ill. ; 29 cm.
Engel and Reid's "Physical Chemistry"provides students with a contemporary and accurate overview of physical chemistry while focusing on basic principles that unite the sub-disciplines of the field. The Third Edition continues to emphasize fundamental concepts, while presenting cutting-edge research developments to emphasize the vibrancy of physical chemistry today.
(source: Nielsen Book Data)
Engel and Reid's "Physical Chemistry"provides students with a contemporary and accurate overview of physical chemistry while focusing on basic principles that unite the sub-disciplines of the field. The Third Edition continues to emphasize fundamental concepts, while presenting cutting-edge research developments to emphasize the vibrancy of physical chemistry today.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.3 .E54 2013 Unknown
Book
xiv, 461 pages : illustrations ; 24 cm
  • 1. Introduction 2. Liquid Surfaces 3. Thermodynamics of Interfaces 4. Charged Interfaces and the Electric Double Layer 5. Surface Forces 6. Contact Angle Phenomena and Wetting 7. Solid Surfaces 8. Adsorption 9. Surface Modification 10. Friction, Lubrication, and Wear 11. Surfactants, Micelles, Emulsions, and Foams 12. Thin Films on Surfaces of Liquids 13. Solutions to Exercises 14. Analysis of Diffraction Patterns.
  • (source: Nielsen Book Data)
The third edition of this excellent textbook for advanced students in material science, chemistry, physics, biology, engineering, or for researchers needing background knowledge in surface and interface science. The general yet comprehensive introduction to this field focuses on the essential concepts rather than specific details, on intuitive understanding rather than learning facts. The text reflects the many facets of this discipline by linking physical fundamentals, especially those taken from thermodynamics, with application-specific topics. Similarly, the theory behind important concepts is backed by clearly explained scientific-engineering aspects, as well as by a wide range of high-end applications from microelectronics and biotechnology. Manifold high-end applications from surface technology, biotechnology, and microelectronics are used to illustrate the basic concepts. New to this edition are such hot topics as second harmonic generation spectroscopy, surface diffusion mechanisms and measurement of surface diffusion, optical spectroscopy of surfaces, atomic layer deposition, superlubricity, bioadhesion, and spin coating. At the same time, the discussions of liquid surfaces, the Marangoni effect, electric double layer, measurement of surface forces, wetting, adsorption, and experimental techniques have been updated, while the number and variety of exercises are increased, and the references updated.
(source: Nielsen Book Data)
  • 1. Introduction 2. Liquid Surfaces 3. Thermodynamics of Interfaces 4. Charged Interfaces and the Electric Double Layer 5. Surface Forces 6. Contact Angle Phenomena and Wetting 7. Solid Surfaces 8. Adsorption 9. Surface Modification 10. Friction, Lubrication, and Wear 11. Surfactants, Micelles, Emulsions, and Foams 12. Thin Films on Surfaces of Liquids 13. Solutions to Exercises 14. Analysis of Diffraction Patterns.
  • (source: Nielsen Book Data)
The third edition of this excellent textbook for advanced students in material science, chemistry, physics, biology, engineering, or for researchers needing background knowledge in surface and interface science. The general yet comprehensive introduction to this field focuses on the essential concepts rather than specific details, on intuitive understanding rather than learning facts. The text reflects the many facets of this discipline by linking physical fundamentals, especially those taken from thermodynamics, with application-specific topics. Similarly, the theory behind important concepts is backed by clearly explained scientific-engineering aspects, as well as by a wide range of high-end applications from microelectronics and biotechnology. Manifold high-end applications from surface technology, biotechnology, and microelectronics are used to illustrate the basic concepts. New to this edition are such hot topics as second harmonic generation spectroscopy, surface diffusion mechanisms and measurement of surface diffusion, optical spectroscopy of surfaces, atomic layer deposition, superlubricity, bioadhesion, and spin coating. At the same time, the discussions of liquid surfaces, the Marangoni effect, electric double layer, measurement of surface forces, wetting, adsorption, and experimental techniques have been updated, while the number and variety of exercises are increased, and the references updated.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD506 .B88 2013 Unknown
Book
xxix, 810, [97] p. : col. ill. ; 29 cm.
  • 1. Matter, Measurement, and Problem Solving 2. Atoms and Elements 3. Molecules, Compounds, and Chemical Equations 4. Chemical Quantities and Aqueous Reactions 5. Gases 6. Thermochemistry 7. The Quantum-Mechanical Model of the Atom 8. Periodic Properties of the Elements 9. Chemical Bonding I: Lewis Theory 10. Chemical Bonding II: Molecular Shapes, Valence Bond Theory, and Molecular Orbital Theory 11. Liquids, Solids, and Intermolecular Forces 12. Solutions 13. Chemical Kinetics 14. Chemical Equilibrium 15. Acids and Bases 16. Aqueous Ionic Equilibrium 17. Free Energy and Thermodynamics 18. Electrochemistry 19. Radioactivity and Nuclear Chemistry 20. Organic Chemistry.
  • (source: Nielsen Book Data)
Adapted from Nivaldo J. Troâ s best-selling general chemistry book, Principles of Chemistry: A Molecular Approach focuses exclusively on the core concepts of general chemistry without sacrificing depth or relevance. Tro's unprecedented two- and three-column problem-solving approach is used throughout to give students sufficient practice in this fundamental skill. A unique integration of macroscopic, molecular, and symbolic illustrations helps students to visualize the various dimensions of chemistry; Troâ s engaging writing style captures studentâ s attention with relevant applications. The Second Edition offers a wealth of new and revised problems, approximately 50 new conceptual connections, an updated art program throughout, and is available with MasteringChemistry�, the most advanced online tutorial and assessment program available. This package contains: Principles of Chemistry: A Molecular Approach, Second Edition .
(source: Nielsen Book Data)
  • 1. Matter, Measurement, and Problem Solving 2. Atoms and Elements 3. Molecules, Compounds, and Chemical Equations 4. Chemical Quantities and Aqueous Reactions 5. Gases 6. Thermochemistry 7. The Quantum-Mechanical Model of the Atom 8. Periodic Properties of the Elements 9. Chemical Bonding I: Lewis Theory 10. Chemical Bonding II: Molecular Shapes, Valence Bond Theory, and Molecular Orbital Theory 11. Liquids, Solids, and Intermolecular Forces 12. Solutions 13. Chemical Kinetics 14. Chemical Equilibrium 15. Acids and Bases 16. Aqueous Ionic Equilibrium 17. Free Energy and Thermodynamics 18. Electrochemistry 19. Radioactivity and Nuclear Chemistry 20. Organic Chemistry.
  • (source: Nielsen Book Data)
Adapted from Nivaldo J. Troâ s best-selling general chemistry book, Principles of Chemistry: A Molecular Approach focuses exclusively on the core concepts of general chemistry without sacrificing depth or relevance. Tro's unprecedented two- and three-column problem-solving approach is used throughout to give students sufficient practice in this fundamental skill. A unique integration of macroscopic, molecular, and symbolic illustrations helps students to visualize the various dimensions of chemistry; Troâ s engaging writing style captures studentâ s attention with relevant applications. The Second Edition offers a wealth of new and revised problems, approximately 50 new conceptual connections, an updated art program throughout, and is available with MasteringChemistry�, the most advanced online tutorial and assessment program available. This package contains: Principles of Chemistry: A Molecular Approach, Second Edition .
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Request at circulation desk
QD453.3 .T76 2013 Unknown On Reserve 2-hour loan
CHEM-31A-01, CHEM-31B-01
Course
CHEM-31A-01 -- Chemical Principles I
Instructor(s)
Cardin, Nathan Benjamin
Course
CHEM-31B-01 -- Chemical Principles II
Instructor(s)
Cardin, Nathan Benjamin
Book
xxix, 733 pages, 93 unnumbered pages : color illustrations ; 29 cm.
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Request at circulation desk
QD453.3 .T763 2013 Unknown On Reserve 2-hour loan
QD453.3 .T763 2013 Unknown On Reserve 2-hour loan
CHEM-31A-01, CHEM-31B-01
Course
CHEM-31A-01 -- Chemical Principles I
Instructor(s)
Cardin, Nathan Benjamin
Course
CHEM-31B-01 -- Chemical Principles II
Instructor(s)
Cardin, Nathan Benjamin
Book
ix, 314 p. : ill. ; 25 cm.
  • 1. Atomic and Molecular Electronic States -- 2. Atomic Orbitals -- 3. Hybrid Orbitals -- 4. Molecular Symmetry -- 5. Molecular Geometry and Bonding -- 6. Crystal Field Theory -- 7. Molecular Orbital Theory -- 8. Vibrational Spectroscopy -- 9. Crystal Structure -- Appendices.
  • (source: Nielsen Book Data)
This book consists of over 300 problems (and their solutions) in structural inorganic chemistry at the senior undergraduate and beginning graduate level. The topics covered comprise Atomic and Molecular Electronic States, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, and Crystal Structure. The central theme running through these topics is symmetry, molecular or crystalline. The problems collected in this volume originate in examination papers and take-home assignments that have been part of the teaching of the book's two senior authors' at The Chinese University of Hong Kong over the past four decades. The authors' courses include Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, X-Ray Crystallography, etc. The problems have been tested by generations of students taking these courses.
(source: Nielsen Book Data)
  • 1. Atomic and Molecular Electronic States -- 2. Atomic Orbitals -- 3. Hybrid Orbitals -- 4. Molecular Symmetry -- 5. Molecular Geometry and Bonding -- 6. Crystal Field Theory -- 7. Molecular Orbital Theory -- 8. Vibrational Spectroscopy -- 9. Crystal Structure -- Appendices.
  • (source: Nielsen Book Data)
This book consists of over 300 problems (and their solutions) in structural inorganic chemistry at the senior undergraduate and beginning graduate level. The topics covered comprise Atomic and Molecular Electronic States, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, and Crystal Structure. The central theme running through these topics is symmetry, molecular or crystalline. The problems collected in this volume originate in examination papers and take-home assignments that have been part of the teaching of the book's two senior authors' at The Chinese University of Hong Kong over the past four decades. The authors' courses include Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, X-Ray Crystallography, etc. The problems have been tested by generations of students taking these courses.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD154 .P75 2013 Unknown
Book
xx, 308 p. : ill. ; 26 cm.
  • Background-- Energy-- The First Principle: Energy is Not Continuous-- Electrons in Atoms-- Chemical Bonding and Molecular Structure-- Atomic and Molecular Spectra-- The Second Principle - The Higher the Fewer-- Chemical Equilibrium-- The States of Matter-- Mixtures and Solutions-- Reaction Rates.
  • (source: Nielsen Book Data)
This elegant book provides a student-friendly introduction to the subject of physical chemistry. It is concise and more compact than standard textbooks on the subject and it emphasises the two important concepts underpinning physical chemistry: quantum mechanics and the second law of thermodynamics. The principles are challenging to students because they both focus on uncertainty and probability. The book explains these fundamental concepts clearly and shows how they offer the key to understanding the wide range of chemical phenomena including atomic and molecular spectra, the structure and properties of solids, liquids and gases, chemical equilibrium, and the rates of chemical reactions.
(source: Nielsen Book Data)
  • Background-- Energy-- The First Principle: Energy is Not Continuous-- Electrons in Atoms-- Chemical Bonding and Molecular Structure-- Atomic and Molecular Spectra-- The Second Principle - The Higher the Fewer-- Chemical Equilibrium-- The States of Matter-- Mixtures and Solutions-- Reaction Rates.
  • (source: Nielsen Book Data)
This elegant book provides a student-friendly introduction to the subject of physical chemistry. It is concise and more compact than standard textbooks on the subject and it emphasises the two important concepts underpinning physical chemistry: quantum mechanics and the second law of thermodynamics. The principles are challenging to students because they both focus on uncertainty and probability. The book explains these fundamental concepts clearly and shows how they offer the key to understanding the wide range of chemical phenomena including atomic and molecular spectra, the structure and properties of solids, liquids and gases, chemical equilibrium, and the rates of chemical reactions.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.2 .S65 2012 Unknown
Book
xix, 509 p., [8] p. of plates : ill. (some col.) ; 25 cm.
  • Quantum Theory Introduction Electromagnetic Radiation Electrons Time-Independent Schrodinger Equation Mathematical Background Variation Principle: Linear Expansion Spin Many-Electron Theory Atoms Atomic Units Hydrogen Atom Equation of Motion for Single Electrons Correlation and Multiplet Theory Atoms in Chemistry Molecules Introduction Chemical Bonding Polyatomic Molecules Hueckel Model for Aromatic Hydrocarbons Excited States Nuclear Motion Introduction Separation of Electronic and Nuclear Coordinates Classical Molecular Dynamics Quantization of Vibrations Vibrational Spectra Vibrations in Electronic Spectra PES Crossing Statistical Mechanics Introduction Partition Function and Thermodynamic Properties Internal Energy and Heat Capacity in Gas Phase Chemical Reactions Equilibrium Statistical Mechanics Using Ensembles Nonequilibrium Statistical Mechanics Ions in Crystals and in Solution Introduction Ions in Aqueous Solution Crystals Crystal Field Theory for Transition Metal Ions Ligand Field Theory Time-dependent Quantum Mechanics Introduction Wave Equation Time Dependence as a Perturbation Chemical Kinetics Introduction Rate of Chemical Reactions Integrated Rate Equations Consecutive Reactions Proton Transfer Introduction Hydrogen Bonding Proton Transfer Electron Transfer Reactions Introduction Homogeneous ET Reactions Electrochemistry Marcus Parabolic Model for ET Rate of ET Reactions Electronic Coupling Disproportionation Quantized Nuclear Motion Biological Electron Transfer Introduction The Living System Electron Carriers and Other Functional Groups Biological Electron Transfer Photophysics and Photochemistry Introduction Photophysics Molecular Photophysics Rate Measurements Photochemistry: Mechanisms Photoinduced Electron Transfer Introduction Charge Transfer Transition in Spectra Polarization Energy Intermolecular and Intramolecular PIET Molecular Photovoltaics Excitation Energy Transfer Introduction Excited States of Bichromophores Transition Moments Fluorescence Resonance Energy Transfer Photosynthesis Introduction Molecules of Photosynthesis Antenna Systems Bacterial Reaction Centers Green Plant Photosynthesis Metals and Semiconductors Introduction Free Electron Models and Conductivity Tight-Binding Model Localization-Delocalization Semiconductors Phonons Conductivity by Electron Pairs Introduction Superconductivity Coupling and Correlation in Electron Pair Transfer MV-3 Systems in the State Overlap Region Pair Conductivity in the Ground State Conductivity in Organic Systems Introduction Organic Semiconductors Stacked, Conducting pi Systems Conducting Polymers Electronic Structure of One-Dimensional Crystals Bibliography Appendix Index.
  • (source: Nielsen Book Data)
A full understanding of modern chemistry is impossible without quantum theory. Since the advent of quantum mechanics in 1925, a number of chemical phenomena have been explained, such as electron transfer, excitation energy transfer, and other phenomena in photochemistry and photo-physics. Chemical bonds can now be accurately calculated with the help of a personal computer. Addressing students of theoretical and quantum chemistry and their counterparts in physics, Chemical Physics: Electrons and Excitations introduces chemical physics as a gateway to fields such as photo physics, solid-state physics, and electrochemistry. Offering relevant background in theory and applications, it covers the foundations of quantum mechanics and molecular structure, as well as more specialized topics such as transfer reactions and photochemistry.
(source: Nielsen Book Data)
  • Quantum Theory Introduction Electromagnetic Radiation Electrons Time-Independent Schrodinger Equation Mathematical Background Variation Principle: Linear Expansion Spin Many-Electron Theory Atoms Atomic Units Hydrogen Atom Equation of Motion for Single Electrons Correlation and Multiplet Theory Atoms in Chemistry Molecules Introduction Chemical Bonding Polyatomic Molecules Hueckel Model for Aromatic Hydrocarbons Excited States Nuclear Motion Introduction Separation of Electronic and Nuclear Coordinates Classical Molecular Dynamics Quantization of Vibrations Vibrational Spectra Vibrations in Electronic Spectra PES Crossing Statistical Mechanics Introduction Partition Function and Thermodynamic Properties Internal Energy and Heat Capacity in Gas Phase Chemical Reactions Equilibrium Statistical Mechanics Using Ensembles Nonequilibrium Statistical Mechanics Ions in Crystals and in Solution Introduction Ions in Aqueous Solution Crystals Crystal Field Theory for Transition Metal Ions Ligand Field Theory Time-dependent Quantum Mechanics Introduction Wave Equation Time Dependence as a Perturbation Chemical Kinetics Introduction Rate of Chemical Reactions Integrated Rate Equations Consecutive Reactions Proton Transfer Introduction Hydrogen Bonding Proton Transfer Electron Transfer Reactions Introduction Homogeneous ET Reactions Electrochemistry Marcus Parabolic Model for ET Rate of ET Reactions Electronic Coupling Disproportionation Quantized Nuclear Motion Biological Electron Transfer Introduction The Living System Electron Carriers and Other Functional Groups Biological Electron Transfer Photophysics and Photochemistry Introduction Photophysics Molecular Photophysics Rate Measurements Photochemistry: Mechanisms Photoinduced Electron Transfer Introduction Charge Transfer Transition in Spectra Polarization Energy Intermolecular and Intramolecular PIET Molecular Photovoltaics Excitation Energy Transfer Introduction Excited States of Bichromophores Transition Moments Fluorescence Resonance Energy Transfer Photosynthesis Introduction Molecules of Photosynthesis Antenna Systems Bacterial Reaction Centers Green Plant Photosynthesis Metals and Semiconductors Introduction Free Electron Models and Conductivity Tight-Binding Model Localization-Delocalization Semiconductors Phonons Conductivity by Electron Pairs Introduction Superconductivity Coupling and Correlation in Electron Pair Transfer MV-3 Systems in the State Overlap Region Pair Conductivity in the Ground State Conductivity in Organic Systems Introduction Organic Semiconductors Stacked, Conducting pi Systems Conducting Polymers Electronic Structure of One-Dimensional Crystals Bibliography Appendix Index.
  • (source: Nielsen Book Data)
A full understanding of modern chemistry is impossible without quantum theory. Since the advent of quantum mechanics in 1925, a number of chemical phenomena have been explained, such as electron transfer, excitation energy transfer, and other phenomena in photochemistry and photo-physics. Chemical bonds can now be accurately calculated with the help of a personal computer. Addressing students of theoretical and quantum chemistry and their counterparts in physics, Chemical Physics: Electrons and Excitations introduces chemical physics as a gateway to fields such as photo physics, solid-state physics, and electrochemistry. Offering relevant background in theory and applications, it covers the foundations of quantum mechanics and molecular structure, as well as more specialized topics such as transfer reactions and photochemistry.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD453.3 .L37 2012 Unknown
Book
xxiv, 381 p., [16] p. of plates : ill. (some col.) ; 24 cm.
  • Theoretical Study of the Mechanism behind the Para-Selective Nitration of Toluene in Zeolite H-Beta Amity Andersen, Niranjan Govind, and Lalitha Subramanian Computational Designing of Gradient-Type Catalytic Membrane: Application to the Conversion of Methanol to Ethylene Abhijit Chatterjee and Maya Chatterjee Wetting of Paracetamol Surfaces Studied by DMol3-COSMO Calculations T. Todorova and B. Delley Molecular Dynamic Studies of the Compatibility of Some Cellulose Derivatives with Selected Ionic Liquids Bela Derecskei and Agnes Derecskei-Kovacs Molecular Modeling Simulations to Predict Density and Solubility Parameters of Ionic Liquids Bela Derecskei and Agnes Derecskei-Kovacs Semiempirical Molecular Orbital Study of Freestanding and Fullerene-Encapsulated Mo Nanoclusters James A. Elliott and Yasushi Shibuta Using Fractional Charges for Computing Fukui Functions in Molecular and Periodic Systems George Fitzgerald Density Functional Theory Study of Urea Interaction with Potassium Chloride Surfaces Ajeet Singh and Bishwajit Ganguly Barrier Properties of Small Gas Molecules in Amorphous cis-1,4-Polybutadiene Estimated by Simulation P. Gestoso and M. Meunier On the Negative Poisson's Ratios and Thermal Expansion in Natrolite Joseph N. Grima, Ruben Gatt, Victor Zammit, Reuben Cauchi, and Daphne Attard Structure-Property Relations between Silicon-Containing Polyimides and Their Carbon-Containing Counterparts Silke Pelzer and Dieter Hofmann Density Functional Theory Computational Study of Phosphine Ligand Dissociation versus Hemilability in a Grubbs-Type Precatalyst Containing a Bidentate Ligand during Alkene Metathesis M. Jordaan and H.C.M. Vosloo Empirical Molecular Modeling of Suspension Stabilization with Polysorbate 80 Jamie T. Konkel and Allan S. Myerson Multiscale Modeling of the Adsorption Interaction between Model Bitumen Compounds and Zeolite Nanoparticles in Gas and Liquid Phases Stanislav R. Stoyanov, Sergey Gusarov, and Andriy Kovalenko Reactive Molecular Dynamics Force Field for the Dissociation of Light Hydrocarbons on Ni(111) B. Liu, M.T. Lusk, J.F. Ely, A.C.T. van Duin and W.A. Goddard, III Molecular Dynamics Simulations for Drug Dosage Form Development: Thermal and Solubility Characteristics for Hot-Melt Extrusion Martin Maus, Karl G. Wagner, Andreas Kornherr, and Gerhard Zifferer Cobalt Complex Based on Cyclam for Reversible Binding of Nitric Oxide O. Siri, A. Tabard, P. Pullumbi, and R. Guilard Design of Highly Selective Industrial Performance Chemicals: A Molecular Modeling Approach Beena Rai and Pradip Density Functional Theory Calculations of 11B NMR Parameters in Crystalline Borates Sabyasachi Sen Study of Synthesis Gas Conversion to Methane and Methanol over an Mo6P3 Cluster Using Density Functional Theory Sharif F. Zaman and Kevin J. Smith Glass Simulations in the Nuclear Industry Shyam Vyas, Scott L. Owens, and Mark Bankhead Molecular Simulations of In-Plane Stiffness and Shear Modulus of Double-Walled Carbon Nanotubes Q. Wang.
  • (source: Nielsen Book Data)
The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the future, the question remains as to how these methods can be further integrated into the R&D value chain, bridging the gap from engineering to manufacturing. Using successful case studies as a framework, Industrial Applications of Molecular Simulations demonstrates the capability of molecular modeling to tackle problems of industrial relevance. This book presents a wide range of various modeling techniques, including methods based on quantum or classical mechanics, molecular dynamics, Monte Carlo simulations, etc. It also explores a wide range of materials, from soft materials such as polymeric blends widely used in the chemical industry to hard or inorganic materials such as glasses and alumina. Features * Demonstrates how modeling can solve everyday problems for scientists in industry * Provides a broad overview of theoretical approaches * Presents a wide range of applications in areas such as materials research, catalysis, pharmaceutical development and electronics * Emphasizes the relationship between theory and experiments.
(source: Nielsen Book Data)
  • Theoretical Study of the Mechanism behind the Para-Selective Nitration of Toluene in Zeolite H-Beta Amity Andersen, Niranjan Govind, and Lalitha Subramanian Computational Designing of Gradient-Type Catalytic Membrane: Application to the Conversion of Methanol to Ethylene Abhijit Chatterjee and Maya Chatterjee Wetting of Paracetamol Surfaces Studied by DMol3-COSMO Calculations T. Todorova and B. Delley Molecular Dynamic Studies of the Compatibility of Some Cellulose Derivatives with Selected Ionic Liquids Bela Derecskei and Agnes Derecskei-Kovacs Molecular Modeling Simulations to Predict Density and Solubility Parameters of Ionic Liquids Bela Derecskei and Agnes Derecskei-Kovacs Semiempirical Molecular Orbital Study of Freestanding and Fullerene-Encapsulated Mo Nanoclusters James A. Elliott and Yasushi Shibuta Using Fractional Charges for Computing Fukui Functions in Molecular and Periodic Systems George Fitzgerald Density Functional Theory Study of Urea Interaction with Potassium Chloride Surfaces Ajeet Singh and Bishwajit Ganguly Barrier Properties of Small Gas Molecules in Amorphous cis-1,4-Polybutadiene Estimated by Simulation P. Gestoso and M. Meunier On the Negative Poisson's Ratios and Thermal Expansion in Natrolite Joseph N. Grima, Ruben Gatt, Victor Zammit, Reuben Cauchi, and Daphne Attard Structure-Property Relations between Silicon-Containing Polyimides and Their Carbon-Containing Counterparts Silke Pelzer and Dieter Hofmann Density Functional Theory Computational Study of Phosphine Ligand Dissociation versus Hemilability in a Grubbs-Type Precatalyst Containing a Bidentate Ligand during Alkene Metathesis M. Jordaan and H.C.M. Vosloo Empirical Molecular Modeling of Suspension Stabilization with Polysorbate 80 Jamie T. Konkel and Allan S. Myerson Multiscale Modeling of the Adsorption Interaction between Model Bitumen Compounds and Zeolite Nanoparticles in Gas and Liquid Phases Stanislav R. Stoyanov, Sergey Gusarov, and Andriy Kovalenko Reactive Molecular Dynamics Force Field for the Dissociation of Light Hydrocarbons on Ni(111) B. Liu, M.T. Lusk, J.F. Ely, A.C.T. van Duin and W.A. Goddard, III Molecular Dynamics Simulations for Drug Dosage Form Development: Thermal and Solubility Characteristics for Hot-Melt Extrusion Martin Maus, Karl G. Wagner, Andreas Kornherr, and Gerhard Zifferer Cobalt Complex Based on Cyclam for Reversible Binding of Nitric Oxide O. Siri, A. Tabard, P. Pullumbi, and R. Guilard Design of Highly Selective Industrial Performance Chemicals: A Molecular Modeling Approach Beena Rai and Pradip Density Functional Theory Calculations of 11B NMR Parameters in Crystalline Borates Sabyasachi Sen Study of Synthesis Gas Conversion to Methane and Methanol over an Mo6P3 Cluster Using Density Functional Theory Sharif F. Zaman and Kevin J. Smith Glass Simulations in the Nuclear Industry Shyam Vyas, Scott L. Owens, and Mark Bankhead Molecular Simulations of In-Plane Stiffness and Shear Modulus of Double-Walled Carbon Nanotubes Q. Wang.
  • (source: Nielsen Book Data)
The field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the future, the question remains as to how these methods can be further integrated into the R&D value chain, bridging the gap from engineering to manufacturing. Using successful case studies as a framework, Industrial Applications of Molecular Simulations demonstrates the capability of molecular modeling to tackle problems of industrial relevance. This book presents a wide range of various modeling techniques, including methods based on quantum or classical mechanics, molecular dynamics, Monte Carlo simulations, etc. It also explores a wide range of materials, from soft materials such as polymeric blends widely used in the chemical industry to hard or inorganic materials such as glasses and alumina. Features * Demonstrates how modeling can solve everyday problems for scientists in industry * Provides a broad overview of theoretical approaches * Presents a wide range of applications in areas such as materials research, catalysis, pharmaceutical development and electronics * Emphasizes the relationship between theory and experiments.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD480 .I53 2012 Unknown
Book
xviii, 363 p. : ill. (some col.) ; 25 cm.
  • Preface XIII List of Contributors XV 1 Molecular Information Processing: from Single Molecules to Supramolecular Systems and Interfaces -- from Algorithms to Devices -- Editorial Introduction 1 Evgeny Katz and Vera Bocharova References 7 2 From Sensors to Molecular Logic: A Journey 11 A. Prasanna de Silva 2.1 Introduction 11 2.2 Designing Luminescent Switching Systems 11 2.3 Converting Sensing/Switching into Logic 13 2.4 Generalizing Logic 15 2.5 Expanding Logic 16 2.6 Utilizing Logic 17 2.7 Bringing in Physical Inputs 20 2.8 Summary and Outlook 21 Acknowledgments 21 References 21 3 Binary Logic with Synthetic Molecular and Supramolecular Species 25 Monica Semeraro, Massimo Baroncini, and Alberto Credi 3.1 Introduction 25 3.2 Combinational Logic Gates and Circuits 27 3.3 Sequential Logic Circuits 41 3.4 Summary and Outlook 48 Acknowledgments 49 References 49 4 Photonically Switched Molecular Logic Devices 53 Joakim Andreasson and Devens Gust 4.1 Introduction 53 4.2 Photochromic Molecules 54 4.3 Photonic Control of Energy and Electron Transfer Reactions 55 4.4 Boolean Logic Gates 61 4.5 Advanced Logic Functions 64 4.6 Conclusion 75 References 76 5 Engineering Luminescent Molecules with Sensing and Logic Capabilities 79 David C. Magri 5.1 Introduction 79 5.2 Engineering Luminescent Molecules 80 5.3 Logic Gates with the Same Modules in Different Arrangements 83 5.4 Consolidating AND Logic 84 5.5 "Lab-on-a-Molecule" Systems 87 5.6 Redox-Fluorescent Logic Gates 90 5.7 Summary and Perspectives 95 References 96 6 Supramolecular Assemblies for Information Processing 99 Catia Parente Carvalho and Uwe Pischel 6.1 Introduction 99 6.2 Recognition of Metal Ion Inputs by Crown Ethers 100 6.3 Hydrogen-Bonded Supramolecular Assemblies as Logic Devices 102 6.4 Molecular Logic Gates with [2]Pseudorotaxane- and [2]Rotaxane-Based Switches 103 6.5 Supramolecular Host-Guest Complexes with Cyclodextrins and Cucurbiturils 110 6.6 Summary 116 Acknowledgments 117 References 117 7 Hybrid Semiconducting Materials: New Perspectives for Molecular-Scale Information Processing 121 Sylwia Gaw&cedil--eda, Remigiusz Kowalik, Przemys l aw Kwolek, Wojciech Macyk, Justyna Mech, Marek Oszajca, Agnieszka Podborska, and Konrad Szaci l owski 7.1 Introduction 121 7.2 Synthesis of Semiconducting Thin Layers and Nanoparticles 122 7.3 Electrochemical Deposition 125 7.4 Organic Semiconductors--toward Hybrid Organic/Inorganic Materials 136 7.5 Mechanisms of Photocurrent Switching Phenomena 142 7.6 Digital Devices Based on PEPS Effect 161 7.7 Concluding Remarks 167 Acknowledgments 168 References 168 8 Toward Arithmetic Circuits in Subexcitable Chemical Media 175 Andrew Adamatzky, Ben De Lacy Costello, and Julian Holley 8.1 Awakening Gates in Chemical Media 175 8.2 Collision-Based Computing 176 8.3 Localizations in Subexcitable BZ Medium 176 8.4 BZ Vesicles 180 8.5 Interaction Between Wave Fragments 181 8.6 Universality and Polymorphism 183 8.7 Binary Adder 186 8.8 Regular and Irregular BZ Disc Networks 193 8.9 Memory Cells with BZ Discs 201 8.10 Conclusion 204 Acknowledgments 204 References 205 9 High-Concentration Chemical Computing Techniques for Solving Hard-To-Solve Problems, and their Relation to Numerical Optimization, Neural Computing, Reasoning under Uncertainty, and Freedom of Choice 209 Vladik Kreinovich and Olac Fuentes 9.1 What are Hard-To-Solve Problems and Why Solving Even One of Them is Important 209 9.2 How Chemical Computing Can Solve a Hard-To-Solve Problem of Propositional Satisfiability 218 9.3 The Resulting Method for Solving Hard Problems is Related to Numerical Optimization, Neural Computing, Reasoning under Uncertainty, and Freedom of Choice 228 Acknowledgments 234 References 234 10 All Kinds of Behavior are Possible in Chemical Kinetics: A Theorem and its Potential Applications to Chemical Computing 237 Vladik Kreinovich 10.1 Introduction 237 10.2 Main Result 239 10.3 Proof 246 Acknowledgments 256 References 257 11 Kabbalistic--Leibnizian Automata for Simulating the Universe 259 Andrew Schumann 11.1 Introduction 259 11.2 Historical Background of Kabbalistic--Leibnizian Automata 259 11.3 Proof-Theoretic Cellular Automata 264 11.4 The Proof-Theoretic Cellular Automaton for Belousov--Zhabotinsky Reaction 268 11.5 The Proof-Theoretic Cellular Automaton for Dynamics of Plasmodium of Physarum polycephalum 271 11.6 Unconventional Computing as a Novel Paradigm in Natural Sciences 276 11.7 Conclusion 278 Acknowledgments 278 References 278 12 Approaches to Control of Noise in Chemical and Biochemical Information and Signal Processing 281 Vladimir Privman 12.1 Introduction 281 12.2 From Chemical Information-Processing Gates to Networks 283 12.3 Noise Handling at the Gate Level and Beyond 286 12.4 Optimization of AND Gates 290 12.5 Networking of Gates 294 12.6 Conclusions and Challenges 296 Acknowledgments 297 References 297 13 Electrochemistry, Emergent Patterns, and Inorganic Intelligent Response 305 Saman Sadeghi and Michael Thompson 13.1 Introduction 305 13.2 Patten Formation in Complex Systems 306 13.3 Intelligent Response and Pattern Formation 308 13.4 Artificial Cognitive Materials 314 13.5 An Intelligent Electrochemical Platform 315 13.6 From Chemistry to Brain Dynamics 321 13.7 Final Remarks 327 References 328 14 Electrode Interfaces Switchable by Physical and Chemical Signals Operating as a Platform for Information Processing 333 Evgeny Katz 14.1 Introduction 333 14.2 Light-Switchable Modified Electrodes Based on Photoisomerizable Materials 334 14.3 Magnetoswitchable Electrodes Utilizing Functionalized Magnetic Nanoparticles or Nanowires 336 14.4 Potential-Switchable Modified Electrodes Based on Electrochemical Transformations of Functional Interfaces 339 14.5 Chemically/Biochemically Switchable Electrodes and Their Coupling with Biomolecular Computing Systems 343 14.6 Summary and Outlook 350 Acknowledgments 351 References 352 15 Conclusions and Perspectives 355 Evgeny Katz References 357 Index 359.
  • (source: Nielsen Book Data)
Edited by a renowned and much cited chemist, this book covers the whole span of molecular computers that are based on non-biological systems. The contributions by all the major scientists in the field provide an excellent overview of the latest developments in this rapidly expanding area. A must-have for all researchers working on this very hot topic. Perfectly complements Biomolecular Information Processing, also by Prof. Katz, and available as a two-volume set.
(source: Nielsen Book Data)
  • Preface XIII List of Contributors XV 1 Molecular Information Processing: from Single Molecules to Supramolecular Systems and Interfaces -- from Algorithms to Devices -- Editorial Introduction 1 Evgeny Katz and Vera Bocharova References 7 2 From Sensors to Molecular Logic: A Journey 11 A. Prasanna de Silva 2.1 Introduction 11 2.2 Designing Luminescent Switching Systems 11 2.3 Converting Sensing/Switching into Logic 13 2.4 Generalizing Logic 15 2.5 Expanding Logic 16 2.6 Utilizing Logic 17 2.7 Bringing in Physical Inputs 20 2.8 Summary and Outlook 21 Acknowledgments 21 References 21 3 Binary Logic with Synthetic Molecular and Supramolecular Species 25 Monica Semeraro, Massimo Baroncini, and Alberto Credi 3.1 Introduction 25 3.2 Combinational Logic Gates and Circuits 27 3.3 Sequential Logic Circuits 41 3.4 Summary and Outlook 48 Acknowledgments 49 References 49 4 Photonically Switched Molecular Logic Devices 53 Joakim Andreasson and Devens Gust 4.1 Introduction 53 4.2 Photochromic Molecules 54 4.3 Photonic Control of Energy and Electron Transfer Reactions 55 4.4 Boolean Logic Gates 61 4.5 Advanced Logic Functions 64 4.6 Conclusion 75 References 76 5 Engineering Luminescent Molecules with Sensing and Logic Capabilities 79 David C. Magri 5.1 Introduction 79 5.2 Engineering Luminescent Molecules 80 5.3 Logic Gates with the Same Modules in Different Arrangements 83 5.4 Consolidating AND Logic 84 5.5 "Lab-on-a-Molecule" Systems 87 5.6 Redox-Fluorescent Logic Gates 90 5.7 Summary and Perspectives 95 References 96 6 Supramolecular Assemblies for Information Processing 99 Catia Parente Carvalho and Uwe Pischel 6.1 Introduction 99 6.2 Recognition of Metal Ion Inputs by Crown Ethers 100 6.3 Hydrogen-Bonded Supramolecular Assemblies as Logic Devices 102 6.4 Molecular Logic Gates with [2]Pseudorotaxane- and [2]Rotaxane-Based Switches 103 6.5 Supramolecular Host-Guest Complexes with Cyclodextrins and Cucurbiturils 110 6.6 Summary 116 Acknowledgments 117 References 117 7 Hybrid Semiconducting Materials: New Perspectives for Molecular-Scale Information Processing 121 Sylwia Gaw&cedil--eda, Remigiusz Kowalik, Przemys l aw Kwolek, Wojciech Macyk, Justyna Mech, Marek Oszajca, Agnieszka Podborska, and Konrad Szaci l owski 7.1 Introduction 121 7.2 Synthesis of Semiconducting Thin Layers and Nanoparticles 122 7.3 Electrochemical Deposition 125 7.4 Organic Semiconductors--toward Hybrid Organic/Inorganic Materials 136 7.5 Mechanisms of Photocurrent Switching Phenomena 142 7.6 Digital Devices Based on PEPS Effect 161 7.7 Concluding Remarks 167 Acknowledgments 168 References 168 8 Toward Arithmetic Circuits in Subexcitable Chemical Media 175 Andrew Adamatzky, Ben De Lacy Costello, and Julian Holley 8.1 Awakening Gates in Chemical Media 175 8.2 Collision-Based Computing 176 8.3 Localizations in Subexcitable BZ Medium 176 8.4 BZ Vesicles 180 8.5 Interaction Between Wave Fragments 181 8.6 Universality and Polymorphism 183 8.7 Binary Adder 186 8.8 Regular and Irregular BZ Disc Networks 193 8.9 Memory Cells with BZ Discs 201 8.10 Conclusion 204 Acknowledgments 204 References 205 9 High-Concentration Chemical Computing Techniques for Solving Hard-To-Solve Problems, and their Relation to Numerical Optimization, Neural Computing, Reasoning under Uncertainty, and Freedom of Choice 209 Vladik Kreinovich and Olac Fuentes 9.1 What are Hard-To-Solve Problems and Why Solving Even One of Them is Important 209 9.2 How Chemical Computing Can Solve a Hard-To-Solve Problem of Propositional Satisfiability 218 9.3 The Resulting Method for Solving Hard Problems is Related to Numerical Optimization, Neural Computing, Reasoning under Uncertainty, and Freedom of Choice 228 Acknowledgments 234 References 234 10 All Kinds of Behavior are Possible in Chemical Kinetics: A Theorem and its Potential Applications to Chemical Computing 237 Vladik Kreinovich 10.1 Introduction 237 10.2 Main Result 239 10.3 Proof 246 Acknowledgments 256 References 257 11 Kabbalistic--Leibnizian Automata for Simulating the Universe 259 Andrew Schumann 11.1 Introduction 259 11.2 Historical Background of Kabbalistic--Leibnizian Automata 259 11.3 Proof-Theoretic Cellular Automata 264 11.4 The Proof-Theoretic Cellular Automaton for Belousov--Zhabotinsky Reaction 268 11.5 The Proof-Theoretic Cellular Automaton for Dynamics of Plasmodium of Physarum polycephalum 271 11.6 Unconventional Computing as a Novel Paradigm in Natural Sciences 276 11.7 Conclusion 278 Acknowledgments 278 References 278 12 Approaches to Control of Noise in Chemical and Biochemical Information and Signal Processing 281 Vladimir Privman 12.1 Introduction 281 12.2 From Chemical Information-Processing Gates to Networks 283 12.3 Noise Handling at the Gate Level and Beyond 286 12.4 Optimization of AND Gates 290 12.5 Networking of Gates 294 12.6 Conclusions and Challenges 296 Acknowledgments 297 References 297 13 Electrochemistry, Emergent Patterns, and Inorganic Intelligent Response 305 Saman Sadeghi and Michael Thompson 13.1 Introduction 305 13.2 Patten Formation in Complex Systems 306 13.3 Intelligent Response and Pattern Formation 308 13.4 Artificial Cognitive Materials 314 13.5 An Intelligent Electrochemical Platform 315 13.6 From Chemistry to Brain Dynamics 321 13.7 Final Remarks 327 References 328 14 Electrode Interfaces Switchable by Physical and Chemical Signals Operating as a Platform for Information Processing 333 Evgeny Katz 14.1 Introduction 333 14.2 Light-Switchable Modified Electrodes Based on Photoisomerizable Materials 334 14.3 Magnetoswitchable Electrodes Utilizing Functionalized Magnetic Nanoparticles or Nanowires 336 14.4 Potential-Switchable Modified Electrodes Based on Electrochemical Transformations of Functional Interfaces 339 14.5 Chemically/Biochemically Switchable Electrodes and Their Coupling with Biomolecular Computing Systems 343 14.6 Summary and Outlook 350 Acknowledgments 351 References 352 15 Conclusions and Perspectives 355 Evgeny Katz References 357 Index 359.
  • (source: Nielsen Book Data)
Edited by a renowned and much cited chemist, this book covers the whole span of molecular computers that are based on non-biological systems. The contributions by all the major scientists in the field provide an excellent overview of the latest developments in this rapidly expanding area. A must-have for all researchers working on this very hot topic. Perfectly complements Biomolecular Information Processing, also by Prof. Katz, and available as a two-volume set.
(source: Nielsen Book Data)
dx.doi.org Wiley Online Library
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD455.3 .E4 M65 2012 Unknown
Book
xvi, 293 p. : ill. (chiefly col.) ; 30 cm. + 2 CD-ROMs (4 3/4 in.)
  • Introduction-- Computers for Molecular Modelling-- Software for Molecular Modelling and Computational Chemistry-- Using INTERCHEM for molecular modelling-- Molecular Modelling of Proteins and Nucleic acids-- Essential Information on Crystal Structures-- Solid State Molecular Modelling-- The Source of Archived 3D Chemical Structure Information-- Molecular Modelling and Medicinal Chemistry-- Appendices.
  • (source: Nielsen Book Data)
This book is a practical, easy to use guide for readers with limited experience of molecular modelling. It will provide students at the undergraduate and early postgraduate chemistry level with a similar entry to modelling. The needs of independent readers are catered for by the inclusion of instructions for acquiring and setting up a suitable computer. Unlike many other textbooks in this field, the authors avoid extensive discussion around complex mathematical foundations behind the methods, choosing instead to provide the reader with the choice of methods themselves. To further these aims of the book, compact discs are included that provide a comprehensive suite of modelling software and datasets. The continuing interest of the pharmaceutical industry in molecular modelling in early stage drug design is recognized by the inclusion of chapters Medicinal Chemistry and Drug Discovery. There is a chapter on modelling of the solid state, a subject that is also of importance for pharma, where problems due to polymorphism in the crystalline forms of drugs are often encountered in the later design stages.
(source: Nielsen Book Data)
  • Introduction-- Computers for Molecular Modelling-- Software for Molecular Modelling and Computational Chemistry-- Using INTERCHEM for molecular modelling-- Molecular Modelling of Proteins and Nucleic acids-- Essential Information on Crystal Structures-- Solid State Molecular Modelling-- The Source of Archived 3D Chemical Structure Information-- Molecular Modelling and Medicinal Chemistry-- Appendices.
  • (source: Nielsen Book Data)
This book is a practical, easy to use guide for readers with limited experience of molecular modelling. It will provide students at the undergraduate and early postgraduate chemistry level with a similar entry to modelling. The needs of independent readers are catered for by the inclusion of instructions for acquiring and setting up a suitable computer. Unlike many other textbooks in this field, the authors avoid extensive discussion around complex mathematical foundations behind the methods, choosing instead to provide the reader with the choice of methods themselves. To further these aims of the book, compact discs are included that provide a comprehensive suite of modelling software and datasets. The continuing interest of the pharmaceutical industry in molecular modelling in early stage drug design is recognized by the inclusion of chapters Medicinal Chemistry and Drug Discovery. There is a chapter on modelling of the solid state, a subject that is also of importance for pharma, where problems due to polymorphism in the crystalline forms of drugs are often encountered in the later design stages.
(source: Nielsen Book Data)
Chemistry & ChemEng Library (Swain)
Status of items at Chemistry & ChemEng Library (Swain)
Chemistry & ChemEng Library (Swain) Status
Stacks
QD480 .B53 2012 F Unknown

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