Description

Book Synopsis
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.

Table of Contents
Theoretical Background.

The Computational Problem.

Selection of A Model.

Practical Considerations: Input and Output.

The Performance of the Model.

Index.

AB Initio Molecular Orbital Theory

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A Hardback by Warren J. Hehre, Leo Radom, Paul von R. Schleyer

15 in stock


    View other formats and editions of AB Initio Molecular Orbital Theory by Warren J. Hehre

    Publisher: John Wiley & Sons Inc
    Publication Date: 30/04/1986
    ISBN13: 9780471812418, 978-0471812418
    ISBN10: 0471812412
    Also in:
    Atomic and molecular physics Chemistry

    Description

    Book Synopsis
    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.

    Table of Contents
    Theoretical Background.

    The Computational Problem.

    Selection of A Model.

    Practical Considerations: Input and Output.

    The Performance of the Model.

    Index.

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