Author: Daniel M. RootPublisher:
ISBN:
Category :
Languages : en
Pages : 364
Book Description
Valence Bond Principles Applied to the Molecular Mechanics Description of Molecular Shapes
Author: Daniel M. RootChemistry from First Principles
Author: Jan C. A. BoeyensPublisher: Springer Science & Business Media
ISBN: 1402085451
Category : Science
Languages : en
Pages : 332
Book Description
"Chemistry from First Principles" examines the appearance of matter in its most primitive form. It features the empirical rules of chemical affinity that regulate the synthesis and properties of molecular matter, analyzes the compatibility of the theories of chemistry with the quantum and relativity theories of physics, formulates a consistent theory based on clear physical pictures and manageable mathematics to account for chemical concepts such as the structure and stability of atoms and molecules. This text also explains the self-similarity between space-time, nuclear structure, covalent assembly, biological growth, planetary systems, and galactic conformation.
A Chemist's Guide to Valence Bond Theory
Author: Sason S. ShaikPublisher: John Wiley & Sons
ISBN: 0470192585
Category : Science
Languages : en
Pages : 332
Book Description
This reference on current VB theory and applications presents a practical system that can be applied to a variety of chemical problems in a uniform manner. After explaining basic VB theory, it discusses VB applications to bonding problems, aromaticity and antiaromaticity, the dioxygen molecule, polyradicals, excited states, organic reactions, inorganic/organometallic reactions, photochemical reactions, and catalytic reactions. With a guide for performing VB calculations, exercises and answers, and numerous solved problems, this is the premier reference for practitioners and upper-level students.
Principles of Modern Chemistry
Author: David W. OxtobyPublisher: Cengage AU
ISBN: 1305079116
Category : Science
Languages : en
Pages : 1271
Book Description
Long considered the standard for honors and high-level mainstream general chemistry courses, PRINCIPLES OF MODERN CHEMISTRY continues to set the standard as the most modern, rigorous, and chemically and mathematically accurate text on the market. This authoritative text features an "atoms first" approach and thoroughly revised chapters on Quantum Mechanics and Molecular Structure (Chapter 6), Electrochemistry (Chapter 17), and Molecular Spectroscopy and Photochemistry (Chapter 20). In addition, the text utilizes mathematically accurate and artistic atomic and molecular orbital art, and is student friendly without compromising its rigor. End-of-chapter study aids focus on only the most important key objectives, equations and concepts, making it easier for students to locate chapter content, while applications to a wide range of disciplines, such as biology, chemical engineering, biochemistry, and medicine deepen students' understanding of the relevance of chemistry beyond the classroom.
Principles and Applications of Quantum Chemistry
Author: V.P. GuptaPublisher: Academic Press
ISBN: 0128035013
Category : Science
Languages : en
Pages : 480
Book Description
Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author's extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. - Simplified mathematical content and derivations for reader understanding - Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) - Accessible level for students and researchers interested in the use of quantum chemistry tools
The Chemical Bond in Inorganic Chemistry
Author: Ian David BrownPublisher:
ISBN: 0198508700
Category : Science
Languages : en
Pages : 289
Book Description
This book describes the bond valence model, a description of acid-base bonding which is becoming increasingly popular particularly in fields such as materials science and mineralogy where solid state inorganic chemistry is important. Recent improvements in crystal structure determination have allowed the model to become more quantitative. Unlike other models of inorganic chemical bonding, the bond valence model is simple, intuitive, and predictive, and can be used for analysing crystal structures and the conceptual modelling of local as well as extended structures. This is the first book to explore in depth the theoretical basis of the model and to show how it can be applied to synthetic and solution chemistry. It emphasizes the separate roles of the constraints of chemistry and of three-dimensional space by analysing the chemistry of solids. Many applications of the model in physics, materials science, chemistry, mineralogy, soil science, surface science, and molecular biology are reviewed. The final chapter describes how the bond valence model relates to and represents a simplification of other models of inorganic chemical bonding.
Molecular Geometry
Author: Alison RodgerPublisher: Butterworth-Heinemann
ISBN: 1483106039
Category : Science
Languages : en
Pages : 203
Book Description
Molecular Geometry discusses topics relevant to the arrangement of atoms. The book is comprised of seven chapters that tackle several areas of molecular geometry. Chapter 1 reviews the definition and determination of molecular geometry, while Chapter 2 discusses the unified view of stereochemistry and stereochemical changes. Chapter 3 covers the geometry of molecules of second row atoms, and Chapter 4 deals with the main group elements beyond the second row. The book also talks about the complexes of transition metals and f-block elements, and then covers the organometallic compounds and transition metal clusters. The last chapter tackles the consequences of small, local variations in geometry. The text will be of great use to chemists who primarily deal with the properties of molecules and atoms.
A Valence Bond Description of Transition Metal Bonding
Author: Timothy K. FirmanMolecular Structure
Author: Norman L. AllingerPublisher: John Wiley & Sons
ISBN: 1118043529
Category : Science
Languages : en
Pages : 356
Book Description
A guide to analyzing the structures and properties of organic molecules Until recently, the study of organic molecules has traveled down two disparate intellectual paths—the experimental, or physical, method and the computational, or theoretical, method. Working somewhat independently of each other, these disciplines have guided research for decades, but they are now being combined efficiently into one unified strategy. Molecular Structure delivers the essential fundamentals on both the experimental and computational methods, then goes further to show how these approaches can join forces to produce more effective analysis of the structure and properties of organic compounds by: Looking at experimental structures: electron, neutron, X-ray diffraction, and microwave spectroscopy as well as computational structures: ab initio, semi-empirical molecular orbital, and molecular mechanics calculations Discussing various electronic effects, particularly stereoelectronic effects, including hyperconjugation, negative hyperconjugation, the Bohlmann and anomeric effects, and how and why these cause changes in structures and properties of molecules Illustrating complex carbohydrate effects such as the gauche effect, the delta-two effect, and the external anomeric torsional effect Covering hydrogen bonding, the CH bond, and how energies, especially heats of formation, can be affected Using molecular mechanics to tie all of these things together in the familiar language of the organic chemist, valence bond pictures Authored by a founding father of computational chemistry, Molecular Structure broadens the scope of the subject by serving as a pioneering guide for workers in the fields of organic, biological, and computational chemistry, as they explore new possibilities to advance their discoveries. This work will also be of interest to many of those in tangential or dependent fields, including medicinal and pharmaceutical chemistry and pharmacology.
Advances in Molecular Structure Research
Author: Publisher: Elsevier
ISBN: 008056075X
Category : Science
Languages : en
Pages : 273
Book Description
Advances in Molecular Structure Research