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.


  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.