Reviews in Computational Chemistry, Volume 15 (eBook, PDF)

Redaktion: Lipkowitz, Kenny B.; Boyd, Donald B.

• Format: PDF

Produktbeschreibung

THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL 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 OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society

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Produktdetails

• Verlag: John Wiley & Sons
• Erscheinungstermin: 22. September 2009
• Englisch
• ISBN-13: 9780470126196
• Artikelnr.: 37290689

Autorenporträt

Kenny B. Lipkowitz, PhD, is a retired Professor of Chemistry from North Dakota State University. Donald B. Boyd was apponted Research Professor of Chemistry at Indiana University - Purdue University Indianapolis in 1994. He has published over 100 refereed journal papers and book chapters.

Inhaltsangabe

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

Rezensionen

"...tutorials and reviews cover how to obtain...chemical insight and concepts from density functional theory...strategies for modeling photochemical reactions..." (SciTech Book News, March 2001)
"...this volume more than justifies libraries continuing their subscriptions to the series...the authors and the editors make a valuable contribution by systematizing and unifying computational chemistry." (Journal of Molecular Graphics Modelling, Vol. 19, No. 6, 2001)