| Titre : |
Advanced molecular dynamics and chemical kinetics |
| Type de document : |
texte imprimé |
| Auteurs : |
Gert D. Billing, Auteur ; K.V. Mikkelsen, Auteur |
| Editeur : |
Chichester : John Wiley & Sons |
| Année de publication : |
1997 |
| Importance : |
XIII-288 p. |
| Présentation : |
Relié. Couv. Ill. en coul., graph. |
| Format : |
24 cm |
| ISBN/ISSN/EAN : |
978-0-471-12740-6 |
| Langues : |
Anglais (eng) |
| Catégories : |
AB.00 Organic and inorganic chemistry
|
| Mots-clés : |
molecular dynamics kinetics theory semiclassical theories quantization photodissociation potential energy surfaces |
| Index. décimale : |
AB.00 |
| Résumé : |
1. introduction 2. second quantization 3. effective hamiltonian approaches 4. semiclassical theories 5. wavepacket propagation 6. potential energy surfaces 7. the reaction path method 8. variational transition state theory 9. quantum theory for rate constants 10. statistical and phase space methods 11. photodissociation 12. density operators 13. evolution of total system 14. nonequilibrium solvation 15. molecular properties of solvated molecules 16. matgnetic properties of solvated molecules 17. quantum model for electron transfer 18. electron transfer coupling elements 19. electron transfer reactions coupled to a quantum mechanical radiation field 20. proton transfer reactions in solution appendix a appendix b appendix c bibliography index |
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