| Document Type
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BL
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| Record Number
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1016243
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| Doc. No
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b770613
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| Title & Author
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Reviews in computational chemistry.\ edited by Kenny B. Lipkowitz and Donald B. Boyd.
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| Publication Statement
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New York :: Wiley-VCH,, ©2000.
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| Series Statement
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Reviews in computational chemistry ;; 15
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| Page. NO
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1 online resource (xxxv, 323 pages)
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| ISBN
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0470125926
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: 0470126191
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: 0471361682
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: 9780470125922
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: 9780470126196
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: 9780471361688
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9780471361688
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| Bibliographies/Indexes
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Includes bibliographical references and indexes.
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| Contents
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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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| Abstract
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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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| Subject
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Chemistry-- Data processing.
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| Subject
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Chemistry-- Mathematics.
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| Subject
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Chemistry-- Data processing.
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| Subject
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Chemistry-- Mathematics.
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| Dewey Classification
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542/.85
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| LC Classification
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QD39.3.E46R48 2000eb
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| Added Entry
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Boyd, Donald B.
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Lipkowitz, Kenny B.
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