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Rogers, Donald, 1932-

Computational chemistry using the PC / Donald W. Rogers. - 3rd ed. - Hoboken, N.J. : Wiley-Interscience, ©2003. - 1 online resource (xx, 349 pages) : illustrations

Includes bibliographical references (pages 333-338) and index.

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.

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.

ISBN: 0471474916 9780471474913 0471474908 9780471474906

Standard No.: 10.1002/0471474908 doi

Source: OverDrive, Inc. http://www.overdrive.com 47FA0FA4-59E4-4756-B6C8-A3783025F5ED OverDrive, Inc. http://www.overdrive.com

Nat. Bib. Agency Control No.: 2003011758 Uk

Subjects--Topical Terms:
Chemistry--Data processing.
Chemistry--Mathematics.

Subjects--Index Terms: Computational chemistry molecular modeling Computing special topics.

Index Terms--Genre/Form:
Electronic books.

LC Class. No.: QD39.3.E46 / R64 2003eb

Dewey Class. No.: 541.2/2/02855365