| Document Type
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BL
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| Record Number
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784511
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| Doc. No
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b604525
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| Main Entry
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Donald W. Rogers.
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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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3rd ed
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| Publication Statement
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Hoboken, N.J.: Wiley-Interscience, ©2003.
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| Page. NO
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(xx, 349 pages) : illustrations
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| ISBN
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0471474908
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: 0471474916
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: 9780471474906
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: 9780471474913
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| Contents
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Computational Chemistry Using the PC Third Edition; Contents; Preface to the Third Edition; Preface to the Second Edition; Preface to the First Edition; Chapter 1. Iterative Methods; Chapter 2. Applications of Matrix Algebra; Chapter 3. Curve Fitting; Chapter 4. Molecular Mechanics: Basic Theory; Chapter 5. Molecular Mechanics II: Applications; Chapter 6. Huckel Molecular Orbital Theory I: Eigenvalues; Chapter 7. Huckel Molecular Orbital Theory II: Eigenvectors; Chapter 8. Self-Consistent Fields; Chapter 9. Semiempirical Calculations on Larger Molecules.
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| Abstract
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This work focuses on the theory and applications of molecular modelling. A mathematical introduction, practice problems in every chapter, laboratory exercises and 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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| Subject
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SCIENCE -- Chemistry -- Physical Theoretical.
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| LC Classification
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QD39.3.E46D663 2003
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| Added Entry
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Donald Rogers
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