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" Computational chemistry using the PC / "
Donald W. Rogers
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BL
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| Record Number
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658290
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| Doc. No
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dltt
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| Main Entry
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Rogers, Donald,1932-
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| Title & Author
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Computational chemistry using the PC /\ Donald W. Rogers
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| Edition Statement
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Third edition
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| Page. NO
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xx, 349 pages :: illustrations ;; 24 cm
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| ISBN
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0471428000
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: 9780471428008
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| Bibliographies/Indexes
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Includes bibliographical references (pages 333-338) and index
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| Contents
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Iterative Methods. -- Applications of Matrix Algebra. -- Curve Fitting. -- Molecular Mechanics: Basic Theory. -- Molecular Mechanics II: Applications. -- Huckel Molecular Orbital Theory I: Eigenvalues. -- Huckel Molecular Orbital Theory II: Eigenvectors. -- SCF. -- Semiempirical Calculations on Larger Molecules. -- Ab Initio Molecular Orbital Calculations
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| Abstract
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Donald Rogers focuses on the theory & applications of molecular modeling. A mathematical introduction, practice problems in every chapter, laboratory exercises, & small research projects provide the student with the tools needed to succeed in computational chemistry
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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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541.2/2/02855365
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| LC Classification
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QD39.3.E46R64 2003
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