Computational Photochemistry: Theoretical and Computational Chemistry, cartea 16
Editat de Massimo Olivuccien Limba Engleză Hardback – 19 oct 2005
* Provides an overview of computational photochemistry, dealing with principles and applications* Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials* Written by experts in computational photochemistry
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Specificații
ISBN-13: 9780444521101
ISBN-10: 0444521100
Pagini: 368
Ilustrații: 1
Dimensiuni: 165 x 240 x 20 mm
Greutate: 0.81 kg
Editura: ELSEVIER SCIENCE
Seria Theoretical and Computational Chemistry
ISBN-10: 0444521100
Pagini: 368
Ilustrații: 1
Dimensiuni: 165 x 240 x 20 mm
Greutate: 0.81 kg
Editura: ELSEVIER SCIENCE
Seria Theoretical and Computational Chemistry
Public țintă
Computational and theoretical chemists as well as photochemists, photobiologists, material scientists, students and engineers in photochemistry, photobiology and photophysicsCuprins
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.
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.