Description
Computational Methods in Photochemistry
Coordinator: Kutateladze Andrei G.
Language: EnglishSubjects for Computational Methods in Photochemistry:
Keywords
Conical Intersections; Wave Function; Potential Energy Surface; S1 Surface; ISC; Ta Te; CASPT2 Calculations; Spin Orbit Coupling; Triplet State; Franck Condon Region; Singlet Nitrene; Triplet Nitrene; Mini-crystal Lattice; Nonadiabatic Coupling; Open Shell Singlet; AB INITIO; Lowest Singlet State; Lewis Structure; CASSCF Computation; Il Ar; Effective Nuclear Charges; Ph Ph; CASSCF Level; Solid State Photochemistry; T2 State
Publication date: 09-2019
· 15.2x22.9 cm · Paperback
Publication date: 05-2005
350 p. · 15.2x22.9 cm · Hardback
Description
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Addressing critical aspects of computational modeling in photochemistry, Molecular Methods in Photochemistry is designed to familiarize researchers and practitioners with state-of-the-art computational methods to predict the reactivity of excited molecules. It provides practical guidelines and examples for the modeling of excited states and describes some of the latest approaches in the computational modeling of photochemistry in solutions and constrained media.
Presents research from experts in the top tiers of computational chemistry and photochemistry including chapters by recognized specialists such as Howard Zimmerman, Josef Michl, Matthew Platz, Nina Gritsan, Weston Borden, Mike Robb, Michael Bearpark, Maccimo Olivucci, Martin Klessinger, Frank Weinhold, Todd Martinez, and others.
While the issue of excited states is discussed in specialized computational series, these books address issues of organic photochemistry sparsely. There has been, until now, no volume specifically devoted to the computational methods in photochemistry with an emphasis on organic photochemistry.