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Theoretical and Computational Photochemistry

Fundamentals, Methods, Applications and Synergy with Experimental Approaches

Specificaties
Paperback, blz. | Engels
Elsevier Science | e druk, 2023
ISBN13: 9780323917384
Rubricering
Elsevier Science e druk, 2023 9780323917384
Verwachte levertijd ongeveer 8 werkdagen

Samenvatting

Theoretical and Computational Photochemistry: Fundamentals, Methods, Applications and Synergy with Experimental Approaches provides a comprehensive overview of photoactive systems and photochemical processes. After an introduction to photochemistry, the book discusses the key computational chemistry methods applied to the study of light-induced processes over the past decade, and further outlines recent research topics to which these methods have been applied. By discussing the synergy between experimental and computational data, the book highlights how theoretical studies could facilitate understanding experimental findings. This helpful guide is for both theoretical chemists and experimental photochemistry researchers interested in utilizing computational photochemistry methods for their own work.

Specificaties

ISBN13:9780323917384
Taal:Engels
Bindwijze:Paperback

Inhoudsopgave

<p>Part 1: Fundamentals<br>1. Electronic excitations in molecules<br>2. Potential Energy Surfaces</p> <p>Part 2: Methods<br>3. Density Functional Theory<br>4. Density Functional Tight Binding<br>5. Algebraic Diagrammatic Construction<br>6. Multiconfigurational Quantum Chemistry<br>7. Equation-of-motion Coupled-Cluster<br>8. Machine Learning methods in photochemistry</p> <p>Part 3: Approaches, Applications and Comparison with Experiments<br>9. Molecular Devices<br>10. Solar Cells<br>11. Thermally Activated Delayed Fluorescence<br>12. DNA behaviour and implications<br>13. Chemi- and bioluminescence<br>14. Photoactive proteins<br>15. Photocatalysis<br>16. Dynamics and Spin Orbit Coupling<br>17. 2D Spectroscopy<br>18. Mechanophotochemistry<br>19. Synergy Between Theory and Experimentation</p>

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        Theoretical and Computational Photochemistry