Valence Bond Methods

Name: Valence Bond Methods
Brand: Cambridge University Press
SKU: 9780521021272
Price: 266.09 RON
Availability: InStock

Theory and Applications

Autor: Gordon A. Gallup

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Legare: Carte broșată

Editura: Cambridge University Press

Disponibilitate: În depozitul extern

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266.09 lei

Valence bond theory is one of two commonly used methods in molecular quantum mechanics, the other is...

Informații despre carte

Autor

Gordon A. Gallup

Limbă

engleză

Legare

Carte - Carte broșată

Publicat

2005

Pagini

256

EAN

9780521021272

ISBN

0521021278

Enbook ID

02018199

Editura

Cambridge University Press

Greutate

414

Dimensiuni

190 x 244 x 14

Descriere completă

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. It also highlights the stability of this description to varying basis sets. There are references to the CRUNCH computer program for molecular structure calculations which is currently available in the public domain. The book will be of primary interest to researchers and students working on electronic theory and computation in chemistry and chemical physics.

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Valence Bond Methods

Theory and Applications

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