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Computational photochemistry /
Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also pro...
| Cote: | Libro Electrónico |
|---|---|
| Autres auteurs: | |
| Format: | Électronique eBook |
| Langue: | Inglés |
| Publié: |
Amsterdam ; Boston :
Elsevier,
2005.
|
| Édition: | 1st ed. |
| Collection: | Theoretical and computational chemistry ;
16. |
| Sujets: | |
| Accès en ligne: | Texto completo Texto completo |
Table des matières:
- I. Computational.
- II. <IT>Ab initio</IT> Methods for Excited States.
- III. Density Functional Methods for Excited States: Equilibrium Structure and Electronic Spectra.
- IV. Electronic and Vibronic Spectra of Molecular Systems: Models and Simulations based on Quantum Chemically Computed Molecular Parameters.
- V. Semiclassical Nonadiabatic Trajectory Computations In Photochemistry: Is The Reaction Path Enough To Understand A Photochemical Reaction Mechanism?
- VI. Computation of Photochemical Reaction Mechanisms in Organic Chemistry.
- VII. Computation of Reaction Mechanisms and Dynamics in Photobiology.
- VIII. Development of Theory with Computation.
- IX. Calculation of Electronic Spectra of Transition Metal Complexes.
- X. Perspectives in Calculations on Excited State in Molecular Systems.