Unified Valence Bond Theory Of Electronic Structure
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Unified Valence Bond Theory Of Electronic Structure
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Author : N. D. Epiotis
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
The bond diagrammatic representation of molecules is the foundation of MOVB theory. To a certain extent, this kind of representation is analogous to the one on which "resonance theory" is based and this fact can be projected by a comparison of the various ways in which MOVB theory depicts a species made up of three core and two ligand MO's which define two subsystems containing a total of six electrons and the ways in which "resonance theory" (i. e. , qualitative VB theory) depicts a six-electron-six-AO species such as the pi system of CH =CH-CH=CH-CH=O. The 2 different pictorial representations are shown in Scheme 1 so that the analogies are made evident. First of all, the total MOVB diagrammatic representation of the 6/5 species is obtained by a linear combination of three complete bond diagrams, as in Al, which describe the optimal linear combination of!l! MOVB Configuration Wavefunctions (CW's). By the same token, a total VB diagrammatic representation of the 6/6 species can be obtained by writing a "dot structure", as in Bl, and taking this to mean the optimal linear combination of all VB CW's. Next, we can approxi mate the MOVB wavefunction of the 6/5 species by one complete (or detailed) bond dia gram" (A2). No simple VB representation analogy can be given in this case. Alterna tively, we can approximate the MOVB wavefunction by a linear combination of compact bond diagrams, as in A3, in the way described before.
Unified Valence Bond Theory Of Electronic Structure
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Author : N. D. Epiotis
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Science categories.
Unified Valence Bond Theory Of Electronic Structure
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Author : N. D. Epiotis
language : en
Publisher: Springer
Release Date : 1982
Unified Valence Bond Theory Of Electronic Structure written by N. D. Epiotis and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1982 with Molecular orbitals categories.
Unified Valence Bond Theory Of Electronic Structure
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Author : J R Larson
language : en
Publisher:
Release Date : 1982-05-01
Unified Valence Bond Theory Of Electronic Structure written by J R Larson and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1982-05-01 with categories.
Unified Valence Bond Theory Of Electronic Structure Applications
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Author : N. D. Epiotis
language : en
Publisher: Springer
Release Date : 1983
Unified Valence Bond Theory Of Electronic Structure Applications written by N. D. Epiotis and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 1983 with Science categories.
Valence Bond Theory
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Author : David Cooper
language : en
Publisher: Elsevier
Release Date : 2002-06-05
Valence Bond Theory written by David Cooper and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2002-06-05 with Science categories.
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.
Quantum Chemistry
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Author : David B. Cook
language : en
Publisher: Imperial College Press
Release Date : 2008
Quantum Chemistry written by David B. Cook and has been published by Imperial College Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with Science categories.
This book is a presentation of a qualitative theory of chemical bonding stressing the physical processes which occur on bond formation. It differs from most (if not all) other books in that it does not seek to ?rationalize? the phenomena of bonding by a series of mnemonic rules. A principal feature is a unified and consistent treatment across all types of bonding in organic, physical and inorganic chemistry.
Qualitative Valence Bond Descriptions Of Electron Rich Molecules
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Author : R D Harcourt
language : en
Publisher:
Release Date : 1982-05-01
Qualitative Valence Bond Descriptions Of Electron Rich Molecules written by R D Harcourt and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1982-05-01 with categories.
Bonding In Electron Rich Molecules
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Author : Richard D. Harcourt
language : en
Publisher: Springer
Release Date : 2015-10-30
Bonding In Electron Rich Molecules written by Richard D. Harcourt and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2015-10-30 with Science categories.
This second edition was updated to include some of the recent developments, such as “increased-valence” structures for 3-electron-3-centre bonding, benzene, electron conduction and reaction mechanisms, spiral chain O4 polymers and recoupled-pair bonding. The author provides qualitative molecular orbital and valence-bond descriptions of the electronic structures for primarily electron-rich molecules, with strong emphasis given to the valence-bond approach that uses “increased-valence” structures. He describes how “long-bond” Lewis structures as well as standard Lewis structures are incorporated into “increased-valence” structures for electron-rich molecules. “Increased-valence” structures involve more electrons in bonding than do their component Lewis structures, and are used to provide interpretations for molecular electronic structure, bond properties and reactivities. Attention is also given to Pauling “3-electron bonds”, which are usually diatomic components of “increased-valence” structures for electron-rich molecules.
A Chemist S Guide To Valence Bond Theory
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Author : Sason S. Shaik
language : en
Publisher: John Wiley & Sons
Release Date : 2007-12-04
A Chemist S Guide To Valence Bond Theory written by Sason S. Shaik and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-12-04 with Science categories.
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.