Description

Book Synopsis
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.

Trade Review
"...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)

Table of Contents
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.

Reviews Computational V15 Reviews in

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    A Hardback by Kenny B. Lipkowitz, Donald B. Boyd

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      Publisher: John Wiley & Sons Inc
      Publication Date: 29/08/2000
      ISBN13: 9780471361688, 978-0471361688
      ISBN10: 0471361682
      Also in:
      Chemistry

      Description

      Book Synopsis
      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.

      Trade Review
      "...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)

      Table of Contents
      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.

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