Unified Valence Bond Theory of Electronic Structure

Name: Unified Valence Bond Theory of Electronic Structure
Author: N. D. Epiotis

I Qualitative Valence Bond Theory of Model Systems.
A. The Formal and Conceptual Difficulties of MO Theory.
B. Levels of VB and MO Theories.
C. Qualitative Valence Bond Theory.
D. Physical Interpretation of Diagonal Energy Matrix Elements.
E. Physical Interpretation of the Interactions of CW’s: “Ionic” versus “Covalent” Delocalization.
F. Diagrammatic Matrix Elements.
G. The VB Theory of Aromaticity.
H. Heitier - London Theory of Stereoselection.
I. The “Perfect” Form of Heitler - London Theory.
J. Why HL Theory Cannot Qualify as a General Theory of Chemical Bonding.
K. The Transition to “Orthogonal” VB Theory and Its Approximate Variants.
L. The Physical Interpretation of VB Configuration Wavefunctions..
M. Huckel Valence Bond Theory of Stereoselection.
N. Neglect of Differential Overlap Valence Bond Theory of Stereoselection.
O. The Electronic Basis of Stereoselection.
P. Conclusion.
References.
Appendices.
II Qualitative Molecular Orbital-Valence Bond Theory.
A. MOVB Theory.
B. The MOVB Approach to Ground State Stereochemistry.
C. Ground State Bond Diagrams.
D. The Representation of Elementary Systems.
E. The Basic Stereochemical Problems.
F. Selection Rules for Chemical Bonding.
G. The Concept of the Effective Energy Gap.
H. The Representation of Polyelectronic Systems.
I. Core and Ligand Group Orbitals.
J. Applications.
K. Compact MOVB Theory.
L. Epilogue.