This book focuses on ab initio valence bond theory.
Les informations fournies dans la section « Synopsis » peuvent faire référence à une autre édition de ce titre.
Professor of Chemistry at the University of Nebraska, Lincoln.
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Vendeur : Majestic Books, Hounslow, Royaume-Uni
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Paperback. Etat : new. Paperback. 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. 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. Shipping may be from multiple locations in the US or from the UK, depending on stock availability. N° de réf. du vendeur 9780521021272
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Paperback. Etat : Brand New. 238 pages. 9.50x6.25x0.50 inches. In Stock. This item is printed on demand. N° de réf. du vendeur __0521021278
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