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

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      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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