| Titre : |
Theoretical and Computational Photochemistry : Fundamentals, Methods, Applications and Synergy with Experimental Approaches |
| Type de document : |
texte imprimé |
| Auteurs : |
Cristina Garcia-Iriepa, Auteur ; Marco Marazzi, Auteur |
| Editeur : |
Amsterdam : Elsevier |
| Année de publication : |
2023 |
| Importance : |
XIII-503 P. |
| Présentation : |
Broché. Couv. ill. en coul., graph, ill. |
| Format : |
29 cm |
| ISBN/ISSN/EAN : |
978-0-323-91738-4 |
| Langues : |
Anglais (eng) |
| Catégories : |
(31.15) Theorie des groupes, symetries et informatique pour la chimie
|
| Mots-clés : |
Computer modeling and simulation Dissociation photochemical Photochemistry |
| Index. décimale : |
31.15 |
| Résumé : |
Part 1: Fundamentals
1. Electronic excitations in molecules. - 2. Potential Energy Surfaces. - Part 2: Methods. - 3. Density Functional Theory. - 4 Density Functional Tight Binding. - 5 Algebraic Diagrammatic Construction. - 6 Multiconfigurational Quantum Chemistry. - 7 Equation-of-motion Coupled-Cluster. - 8 Machine Learning methods in photochemistry. - Part 3: Approaches, Applications and Comparison with Experiments. - 9 Molecular Devices. - 10 Solar Cells. - 11 Thermally Activated Delayed Fluorescence. - 12 DNA behaviour and implications. - 13 Chemi- and bioluminescence. - 14 Photoactive proteins. - 15 Photocatalysis. - 16 Dynamics and Spin Orbit Coupling. - 17 2D Spectroscopy. - 18 Mechanophotochemistry. - 19 Synergy Between Theory and Experimentation |
