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Academic & Professional Books  Organismal to Molecular Biology  Biochemistry & Molecular Biology

Ab Initio Molecular Orbital Theory

By: Warren J Hehre
548 pages, B/w plates, figs, tabs
Ab Initio Molecular Orbital Theory
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  • Ab Initio Molecular Orbital Theory ISBN: 9780471812418 Hardback Apr 1986 Not in stock: Usually dispatched within 6 days
    £329.95
    #88875
Price: £329.95
About this book Contents Customer reviews Related titles

About this book

Describing and discussing the use of theoretical models as an alternative to experiments in making accurate predictions of chemical phenomena, this book addresses the formulation of theoretical molecular orbital models starting from quantum mechanics, and compares them to experimental results. It draws on a series of models that have already received widespread application and are available for new applications.

Contents

Theoretical Background. The Computational Problem. Selection of A Model. Practical Considerations: Input and Output. The Performance of the Model. Index.

Customer Reviews

By: Warren J Hehre
548 pages, B/w plates, figs, tabs
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