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|a Reviews in computational chemistry.
|n Volume 15 /
|c edited by Kenny B. Lipkowitz and Donald B. Boyd.
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|a New York :
|b Wiley-VCH,
|c ©2000.
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|a 1 online resource (xxxv, 323 pages)
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|a Reviews in computational chemistry ;
|v 15
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|a Includes bibliographical references and indexes.
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|a Reviews in Computational Chemistry Volume 15; Contents; Kohn-Sham Density Functional Theory: Predicting and Understanding Chemistry; A Computational Strategy for Organic Photochemistry; Theoretical Methods for Computing Enthalpies of Formation of Gaseous Compounds; The Development of Computational Chemistry in Canada; Author Index; Subject Index.
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520 |
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|a 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 REVIE.
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|a Print version record.
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|a English.
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|a ProQuest Ebook Central
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|a Lipkowitz, Kenny B.
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|a Boyd, Donald B.
|4 edt
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|i has work:
|a Reviews in computational chemistry Volume 15 (Text)
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|i Print version:
|t Reviews in computational chemistry. Volume 15.
|d New York : Wiley-VCH, ©2000
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|w (OCoLC)44014920
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