Empirical and semi-empirical molecular orbital theory
The first two sections of this module introduce you to some of the fundamental concepts of molecular orbital (MO) theory. Sections 3 and 4 explore some practical implementations of this theory.

Contents

  1. Preface
  2. Qualitative MO theory
  3. Quantitative MO theory
  4. Empirical MO methods
    1. Hückel method
    2. Extended Hückel method
  5. Semi-empirical MO methods
  6. Appendices
    1. Pioneering MO chemists
    2. Energy conversion factors
    3. Glossary
  7. Bibliography
  8. Comments survey


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Last updated: 8 May 2011.