Computational Methods in Photochemistry
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AB INITIO
advanced spectroscopy theory
CASPT2 Calculations
CASSCF Computation
CASSCF Level
Category=PNRL
conical
Conical Intersections
coupling
Effective Nuclear Charges
eq_bestseller
eq_isMigrated=1
eq_isMigrated=2
eq_nobargain
eq_non-fiction
eq_science
excited state dynamics
Franck Condon Region
function
Il Ar
intersection
ISC
lattice
Lewis Structure
Lowest Singlet State
mini-crystal
Mini-crystal Lattice
molecular electronic structure
Nonadiabatic Coupling
Open Shell Singlet
orbit
organic
organic reaction mechanisms
Ph Ph
photochemical modeling in constrained media
Potential Energy Surface
quantum chemistry techniques
S1 Surface
Singlet Nitrene
Solid State Photochemistry
spin
Spin Orbit Coupling
T2 State
Ta Te
theoretical photoreaction analysis
Triplet Nitrene
Triplet State
wave
Wave Function
Product details
- ISBN 9780824753450
- Weight: 816g
- Dimensions: 152 x 229mm
- Publication Date: 05 May 2005
- Publisher: Taylor & Francis Inc
- Publication City/Country: US
- Product Form: Hardback
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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.
Andrei G. Kutateladze
