This book focuses on ab initio valence bond theory.
Inhaltsverzeichnis
Preface; Part I. Theory and Two-Electron Systems: 1. Introduction; 2. H2 and localised orbitals; 3. H2 and delocalised orbitals; 4. Three electrons in doublet states; 5. Advanced methods for larger molecules; 6. Spatial symmetry; 7. Varieties of valence bond treatments; 8. The physics of ionic structures; Part II. Examples and Interpretations: 9. Selection of structures and arrangement of bases; 10. Four simple three-electron systems; 11. Second row homonuclear diatomics; 12. Second row heteronuclear diatomics; 13. Methane, ethane and hybridization; 14. Rings of hydrogen atoms; 15. Aromatic compounds; 16. Interaction of molecular fragments; Appendix; Bibliography.
