Valence Bond Methods Theory and Applications

Name: Valence Bond Methods Theory and Applications
Price: 45.02 USD
Availability: InStock
ISBN: 9780521021272

ISBN-10: 0521021278

ISBN-13: 9780521021272

Edition: 2005

Authors: Gordon A. Gallup

List price: $39.99

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Description:

Valence bond theory is one of two commonly used methods in molecular quantum mechanics; the other is molecular orbital theory. This book focuses on the first of these methods: ab initio valence bond theory. The book is split into two parts. Part I gives simple examples of two-electron calculations and the necessary theory to extend these to larger systems. Part II gives a set of case studies of related molecule sets designed to show the nature of the valence bond description of molecular structure. The book is of primary interest to researchers and students working on electronic theory and computation in chemistry and chemical physics.

Book details

List price: $39.99
Copyright year: 2005
Publisher: Cambridge University Press
Publication date: 10/13/2005
Binding: Paperback
Pages: 256
Size: 7.48" wide x 9.61" long x 0.55" tall
Weight: 0.902

Professor of Chemistry at the University of Nebraska, Lincoln.



Preface



Theory and Two-Electron Systems



Introduction



H2 and localised orbitals



H2 and delocalised orbitals



Three electrons in doublet states



Advanced methods for larger molecules



Spatial symmetry



Varieties of valence bond treatments



The physics of ionic structures



Examples and Interpretations



Selection of structures and arrangement of bases



Four simple three-electron systems



Second row homonuclear diatomics



Second row heteronuclear diatomics



Methane, ethane and hybridization



Rings of hydrogen atoms



Aromatic compounds



Interaction of molecular fragments


Appendix


Bibliography