Computational Photochemistry

Computational Photochemistry, Volume 16 provides an overview of photochemical processes. Ex ins ins ins ins ins ins ins photo ins photo ins photo ins photo ins photo ins photo ins photo ins photo ins. Photoexcited molecules, the book also provides insight into the conceptual and methodological research of photochemistry. Packages with photodynamic reactions, photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is relatively useful to anyone interested in the light on molecules and materials.

* Provides an overview of computational photochemistry, dealing with principles and applications
* Demonstrates techniques that can be used in the computer-aided design of the novel photo responsive materials
* Written by experts in computational photochemistry

I. Computational.
II. Ab initio 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.