| Titre : |
A chemist's guide to valence bond theory |
| Type de document : |
texte imprimé |
| Auteurs : |
Sason Shaik, Auteur ; Philippe C. Hiberty, Auteur |
| Editeur : |
Chichester : John Wiley & Sons |
| Année de publication : |
2008 |
| Importance : |
Xiv-316 p. |
| Présentation : |
Relié. Couv. Ill. en coul., graph. |
| Format : |
23 cm |
| ISBN/ISSN/EAN : |
978-0-470-03735-5 |
| Langues : |
Anglais (eng) |
| Catégories : |
(31.20) Methodes semi-empiriques et ab-initio
|
| Mots-clés : |
Valence bond method Ion exchange Valence bond method in electronic structure of atoms and molecules Chemical bonds |
| Index. décimale : |
31.20 |
| Résumé : |
1 A brief story of valence bond theory, its Rivalry with Molecular orbital theory, its demise and resurgence - 2 A brief tour through some valence bond outputs and terminology - 3 Basic valence bond theory - 4 Mapping molecular orbital configuration interaction to valence bond wave functions - 5 Are the failures of valence bond theory real - 6 Valence bond diagrams for chemical reactivity - 7 Using valence bond theory to compute and conceptualize excited states - 8 Spin hamiltonian valence bond theory and its application to organic radicals, diradicals, and polyradicals - 9 Curently available ab initio valence bond computational methods and their principles - 10 Do your own valence bond calculations - a practical guide |
A chemist's guide to valence bond theory (2008)
