Midlands State University Library
Image from Google Jackets

Computational photochemistry edited by Massimo Olivucci

Contributor(s): Material type: TextTextLanguage: English Series: Theoretical and computational chemistry ; 16Publication details: Amsterdaam Elsevier 2005Description: 352 pages illustrations 25 cmContent type:
  • text
Media type:
  • unmediated
Carrier type:
  • volume
ISBN:
  • 9780444521101
Subject(s): LOC classification:
  • QD715 COM
Contents:
Foreword / Josef Michl I Computational photochemistry / Massimo Olivucci, Adalgisa Sinicropi 1 II Ab initio methods for excited states / Manuela Merchan, Luis Serrano-Andres 35 III Density functional methods for excited states : equilibrium structure and electronic spectra / Filipp Furche, Dmitrij Rappoport 93 IV Electronic and vibronic spectra of molecular systems : models and simulations based on quantum chemically computed molecular parameters / Fabrizia Negri, G. Orlandi 129 V Semiclassical nonadiabatic trajectory computations in photochemistry : is the reaction path enough to understand a photochemical reaction mechanism? / G. A. Worth, M. L. Bearpark, Michael A. Robb 171 VI Computation of photochemical reaction mechanisms in organic chemistry / Marco Garavelli, Fernando Bernardi, A. Cembran 191 VII Computation of reaction mechanisms and dynamics in photobiology / Seth Olsen, Alessandro Toniolo, Chaehyuk Ko, Leslie Manohar, Kristina Lamothe, Todd J. Martinez 225 VIII Development of theory with computation / Howard Zimmerman 255 IX Calculations of electronic spectra of transition metal complexes / Kerstin Pierloot 279 X Perspectives in calculations on excited state in molecular systems / Bjorn Roos 317
Reviews from LibraryThing.com:
Tags from this library: No tags from this library for this title. Log in to add tags.
Star ratings
    Average rating: 0.0 (0 votes)
Holdings
Item type Current library Call number Copy number Status Date due Barcode
Book Book Main Library Open Shelf QD715 COM (Browse shelf(Opens below)) 147979 Available BK133402

Includes bibliographical references and index.

Foreword / Josef Michl
I Computational photochemistry / Massimo Olivucci, Adalgisa Sinicropi 1
II Ab initio methods for excited states / Manuela Merchan, Luis Serrano-Andres 35
III Density functional methods for excited states : equilibrium structure and electronic spectra / Filipp Furche, Dmitrij Rappoport 93
IV Electronic and vibronic spectra of molecular systems : models and simulations based on quantum chemically computed molecular parameters / Fabrizia Negri, G. Orlandi 129
V Semiclassical nonadiabatic trajectory computations in photochemistry : is the reaction path enough to understand a photochemical reaction mechanism? / G. A. Worth, M. L. Bearpark, Michael A. Robb 171
VI Computation of photochemical reaction mechanisms in organic chemistry / Marco Garavelli, Fernando Bernardi, A. Cembran 191
VII Computation of reaction mechanisms and dynamics in photobiology / Seth Olsen, Alessandro Toniolo, Chaehyuk Ko, Leslie Manohar, Kristina Lamothe, Todd J. Martinez 225
VIII Development of theory with computation / Howard Zimmerman 255
IX Calculations of electronic spectra of transition metal complexes / Kerstin Pierloot 279
X Perspectives in calculations on excited state in molecular systems / Bjorn Roos 317

There are no comments on this title.

to post a comment.