A Chemists Guide To Valence Bond Theory
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Author | : Sason S. Shaik |
Publisher | : John Wiley & Sons |
Total Pages | : 332 |
Release | : 2007-12-10 |
Genre | : Science |
ISBN | : 0470192585 |
Download A Chemist's Guide to Valence Bond Theory Book in PDF, Epub and Kindle
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.
Author | : Sason S. Shaik |
Publisher | : John Wiley & Sons |
Total Pages | : 332 |
Release | : 2007-12-04 |
Genre | : Science |
ISBN | : 0470037350 |
Download A Chemist's Guide to Valence Bond Theory Book in PDF, Epub and Kindle
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.
Author | : Shaik |
Publisher | : Wiley-Blackwell |
Total Pages | : 0 |
Release | : 2025-05-06 |
Genre | : |
ISBN | : 9781394238798 |
Download A Chemist′s Guide to Valence Bond Theory, Second E Dition Book in PDF, Epub and Kindle
Author | : David Cooper |
Publisher | : Elsevier |
Total Pages | : 837 |
Release | : 2002-06-05 |
Genre | : Science |
ISBN | : 0080543499 |
Download Valence Bond Theory Book in PDF, Epub and Kindle
Valence bond (VB) theory, which builds the descriptions of molecules from those of its constituent parts, provided the first successful quantum mechanical treatments of chemical bonding. Its language and concepts permeate much of chemistry, at all levels. Various modern formulations of VB theory represent serious tools for quantum chemical studies of molecular electronic structure and reactivity. In physics, there is much VB-based work (particularly in semi-empirical form) on larger systems. Importance of TopicThe last decade has seen significant advances in methodology and a vast increase in the range of applications, with many new researchers entering the field.Why This TitleValence Bond Theory succeeds in presenting a comprehensive selection of contributions from leading valence bond (VB) theory researchers throughout the world. It focuses on the vast increase in the range of applications of methodology based on VB theory during the last decade and especially emphasizes recent advances.
Author | : Gordon A. Gallup |
Publisher | : Cambridge University Press |
Total Pages | : 258 |
Release | : 2002-07-11 |
Genre | : Science |
ISBN | : 0521803926 |
Download Valence Bond Methods Book in PDF, Epub and Kindle
Publisher Description
Author | : Roger L. DeKock |
Publisher | : University Science Books |
Total Pages | : 516 |
Release | : 1989 |
Genre | : Chemical bonds |
ISBN | : 9780935702613 |
Download Chemical Structure and Bonding Book in PDF, Epub and Kindle
"Designed for use in inorganic, physical, and quantum chemistry courses, this textbook includes numerous questions and problems at the end of each chapter and an Appendix with answers to most of the problems."--
Author | : N. D. Epiotis |
Publisher | : Springer Science & Business Media |
Total Pages | : 314 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 3642932134 |
Download Unified Valence Bond Theory of Electronic Structure Book in PDF, Epub and Kindle
Author | : Israel Fernandez |
Publisher | : Elsevier |
Total Pages | : 517 |
Release | : 2021-05-16 |
Genre | : Science |
ISBN | : 0128227435 |
Download Aromaticity Book in PDF, Epub and Kindle
Evaluating the aromaticity of a molecular system and the influence of this concept on its properties is a crucial step in the development of novel aromatic systems. Modern computational methods can provide researchers with a high level of insight into such aromaticity, but identifying the most appropriate method for assessing a specific system can prove difficult. Aromaticity: Modern Computational Methods and Applications reviews the latest state-of-the-art computational methods in this field and discusses their applicability for evaluating the aromaticity of a system. In addition to covering aromaticity for typical organic molecules, this volume also explores systems possessing transition metals in their structures, macrocycles and even transition structures. The influence of the aromaticity on the properties of these species (including the structure, magnetic properties and reactivity) is highlighted, along with potential applications in fields including materials science and medicinal chemistry. Finally, the controversial and fuzzy nature of aromaticity as a concept is discussed, providing the basis for an updated and more comprehensive definition of this concept. Drawing on the knowledge of an international team of experts, Aromaticity: Modern Computational Methods and Applications is a unique guide for anyone researching, studying or applying principles of aromaticity in their work, from computational and organic chemists to pharmaceutical and materials scientists. Reviews a range of computational methods to assess the aromatic nature of different compounds, helping readers select the most useful tool for the system they are studying Presents a complete guide to the key concepts and fundamental principles of aromaticity Provides guidance on identifying which variables should be modified to tune the properties of an aromatic system for different potential applications
Author | : Ian David Brown |
Publisher | : |
Total Pages | : 289 |
Release | : 2002 |
Genre | : Science |
ISBN | : 0198508700 |
Download The Chemical Bond in Inorganic Chemistry Book in PDF, Epub and Kindle
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.
Author | : V.P. Gupta |
Publisher | : Academic Press |
Total Pages | : 480 |
Release | : 2015-10-15 |
Genre | : Science |
ISBN | : 0128035013 |
Download Principles and Applications of Quantum Chemistry Book in PDF, Epub and Kindle
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