| Titre : |
A Chemist's Guide to Valence Bond Theory : Insights into Chemical Bonding, Reactivity, and Excited States |
| Type de document : |
texte imprimé |
| Auteurs : |
Sason Shaik, Auteur ; David Danovich, Auteur ; Philippe C. Hiberty, Auteur |
| Mention d'édition : |
2nd Ed. |
| Editeur : |
Weinheim : WILEY-VCH |
| Année de publication : |
2026 |
| Importance : |
XVII-460 P. |
| Présentation : |
Rele : couv. ill en coul., graph |
| Format : |
23 cm |
| ISBN/ISSN/EAN : |
978-1-394-23879-8 |
| 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 Applications to Organic Radicals, Diradicals, and Polyradicals. - 9 Currently Available Ab Initio Valence Bond Computational Methods and Their Principles . - 10 Do Your Own Valence Bond Calculation—A Practical Guide. - 11 The Chemical Bonds in Valence Bond Theory. - 12 Breathing-Orbital Valence Bond: Methods and Applications |
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