Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches

ISBN-13: 9780323917384 / Angielski

Cristina Garcia Iriepa; Marco Marazzi

Spis treści

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