Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches
Editat de García Iriepa Cristina, Marco Marazzien Limba Engleză Paperback – 25 apr 2023
- Reviews the fundamentals of photochemistry, helping those new to the field in understanding key concepts
- Provides detailed guidance and comparison of computational and theoretical methods, highlighting the suitability of each method for different case studies
- Outlines current applications to encourage discussion of the synergy between experimental and computational data, and inspiring further application of these methods to other photochemical processes
Preț: 952.44 lei
Preț vechi: 1187.68 lei
-20% Nou
Puncte Express: 1429
Preț estimativ în valută:
182.36€ • 189.89$ • 151.30£
182.36€ • 189.89$ • 151.30£
Carte tipărită la comandă
Livrare economică 07-21 februarie
Preluare comenzi: 021 569.72.76
Specificații
ISBN-13: 9780323917384
ISBN-10: 0323917380
Pagini: 516
Dimensiuni: 216 x 276 x 28 mm
Greutate: 1.19 kg
Editura: ELSEVIER SCIENCE
ISBN-10: 0323917380
Pagini: 516
Dimensiuni: 216 x 276 x 28 mm
Greutate: 1.19 kg
Editura: ELSEVIER SCIENCE
Public țintă
This book is targeted to both new and experienced researchers interested in studying photochemical processes from a theoretical and computational point of view, including physical, theoretical and computational chemists, organic, inorganic and analytical chemists, solar researchers, spectroscopists, biochemists, materials scientists, and electrochemistsCuprins
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
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