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 provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials.
Reihe
Sprache
Verlagsort
Verlagsgruppe
Elsevier Science & Technology
Zielgruppe
Für Beruf und Forschung
Computational and theoretical chemists as well as photochemists, photobiologists, material scientists, students and engineers in photochemistry, photobiology and photophysics
Maße
Höhe: 240 mm
Breite: 165 mm
Gewicht
ISBN-13
978-0-444-52110-1 (9780444521101)
Copyright in bibliographic data and cover images is held by Nielsen Book Services Limited or by the publishers or by their respective licensors: all rights reserved.
Schweitzer Klassifikation
Herausgeber*in
Dipartimento di Chimica, Universita di Siena, Italy
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.
