Queen Mary, University of London
An Introduction to Molecular Orbital Theory
CONTENTS 1. Introduction What should you know already ? 2. Exact Solutions to the Schrödinger Equation ? All we have to do is solve the Schrödinger Equation 3. The Way Forward - Assumptions and Approximations Simplification 1 (Born - Oppenheimer Approximation) 4. LCAO and the Variational Principle The Variational Principle 5. Partial Charges and Bond Orders Partial Charges Basic Assumptions Bonding in HX Molecules
Appendices Appendix 1 : Minimization of the Expression for the Orbital Energy Appendix 2 : Determinants and Simultaneous Equations Appendix 3 : Normalisation of MOs and Electron Density Distribution |
Authorship : This material was prepared by Dr Roger Nix, whilst working at Queen Mary, University of London. Conditions of Use : This material may be downloaded by individuals for their own personal use. Disclaimer - the above material may be downloaded but is provided 'as is' without express or implied warranties. The material is provided gratuitously for personal use and in good faith, but the suppliers shall not be liable for any effects arising from errors/mistakes in the material. |
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