Valence Bond Theory

摘要: Chapter 1. A Short History of VB Theory. 2. Modern Valence-Bond Description Gas-Phase Pericyclic Reactions. 3. Complete Active Space Valence Bond (CASVB) Method and its Application to Chemical . 4. TURTLE -- Gradient VBSCF Program. Theory Studies Aromaticity. 5. Generalized Multistructural Method: Theoretical Foundations Applications. 6. Spin-Free Approach for 7. BOVB Method. Incorporating Static Dynamic Electron Correlation Effects. 8. The Biorthogonal 9. Recent Development the SCVB 10. Multiconfiguration Spin-Coupled Method, STO Optimization, Electronic Structure BH3 in Ground State. 11. Ab Initio Computational Approaches Weakly Interacting Systems Framework Theory: From Small Large van der Waals Molecules. 12. Structures Some Molecules with Four Singly-Occupied Active-Space Orbitals: Structures, Reaction Mechanisms, Metallic Orbitals. 13. Applications Rich Systems. 14. Analysis Wavefunctions Calculated Reactions Solution. 15. Resonating Theories Carbon p-Networks Classical/Quantum Connections. 16. Clar's p-Aromatic Sextet Revisited. 17. View Fullerenes. 18. Calculations Their Medium-Sized Conjugated Hydrocarbons. 19. Symmetric Group Heisenberg Lattices. 20. Quantum Cell Models. 21. Spin Permutation Technique Strongly Correlated 22. Many Body Ansatze. Polymers Ladder Materials Square Lattice. 23. Exact State One- Two-Dimensional Frustrated