Valence bond methods :: theory and applications /

This book focuses on ab initio valence bond theory. Part I gives examples of two-electron calculations and the necessary theory to extend these to larger systems. Part II discusses a series of case studies. Reference is made throughout to the freely available CRUNCH computer program for molecular st...

Ausführliche Beschreibung

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Bibliographische Detailangaben
1. Verfasser: Gallup, Gordon A. (Gordon Alban), 1927-
Format: Elektronisch E-Book
Sprache:English
Veröffentlicht: Cambridge ; New York : Cambridge University Press, 2002.
Schlagworte:
Online-Zugang:Volltext
Zusammenfassung:This book focuses on ab initio valence bond theory. Part I gives examples of two-electron calculations and the necessary theory to extend these to larger systems. Part II discusses a series of case studies. Reference is made throughout to the freely available CRUNCH computer program for molecular structure calculations.
Beschreibung:1 online resource (xv, 238 pages) : illustrations
Bibliographie:Includes bibliographical references (pages 231-233) and index.
ISBN:0511020376
9780511020377
9780511535383
0511535384
1280433361
9781280433368
1107123542
9781107123540
0511177135
9780511177132
0511304846
9780511304842
0521021278
9780521021272
9786610433360
6610433364