Lipkowitz / Boyd Reviews in Computational Chemistry / Reviews in Computational Chemistry, Volume 15

1. Auflage 2009
ISBN: 978-0-470-12619-6
Verlag: John Wiley & Sons
Format: PDF
Kopierschutz: 0 - No protection

E-Book, Englisch, Band 15, 368 Seiten, E-Book

Reihe: Reviews in Computational Chemistry

THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING ANDRESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THATMANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY.TUTORIALS AND REVIEWS COVER
* HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITYFUNCTIONAL THEORY CALCULATIONS,
* HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES,AND
* HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES.
A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OFCOMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS ASPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES
"Reviews in Computational Chemistry proves itself an invaluableresource to the computational chemist. This series has a place inevery computational chemist's library."-Journal of the AmericanChemical Society

Autoren/Hrsg.

Lipkowitz, Kenny B.

Boyd, Donald B.

Inhaltsverzeichnis

Kohn-Sham Density Functional Theory: Predicting and UnderstandingChemistry (F. Bickelhaupt & E. Baerends).
A Computational Strategy for Organic Photochemistry (M. Robb, etal.).
Theoretical Methods for Computing Enthalpies of Formation ofGaseous Compounds (L. Curtiss, et al.).
The Development of Computational Chemistry in Canada (R.Boyd).
Indexes.