Valence bond theoretical study for chemical reactivity

Science in China, Series B: Chemistry

Volumn 41, Issue 6, 1998, Pages 660-669

  Cao, Zexing ^a   Wu, Wei ^a   Zhang, Qianer ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

Curve crossing VB diagram; Reactivity; Symmetry adaptation of the valence bond structure

Indexed keywords

EID: 0000561967     PISSN: 10069291     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF02883029     Document Type: Article

References (9)

1. Fukui, K., Yonezawa, T., Shingu, H., A molecular theory of reactivity in aromatic hydrocarbons, J. Chem. Phys., 1952, 20: 722.
2. Woodward, R.B., Hoffmann, R., Stereochemistry of electrocyclic reactions, J. Am. Chem. Soc., 1965, 87: 395.
3. Pearson, R.G., Symmetry Rules For Chemical Reactions, New York: John Wiley & Sons, 1976.
4. Shaik, S., Hiberty, P.C., Valence bond mixing and curve crossing diagrams in chemical reactivity and bond, Adv. Quant. Chem., 1995, 26: 99.
5. Cao, Z., Wu, W., Zhang, Q., Construction and applications of symmetrized valence bond wave functions, Int. J. Quantum. Chem., 1998, 66: 1.
6. Li, X., Zhang, Q., Bonded tableau unitary group approach to the many electron correlation problem, Int. J. Quantum. Chem., 1989, 36: 599.
7. McWeeny, R., A spin-free form of valence bond theory, Int. J. Quantum. Chem., 1988, 34: 25.
8. Zhang, Q., Li, X., Bonded tableau method for many-electron systems, J. Mol. Struct., 1989, 198: 413.
9. Maitre, P., Hiberty, P.C., Ohanessian, G. et al., Quantitative valence bond computations of curve-crossing diagrams for model atom exchange reactions, J. Phys. Chem., 1990, 94: 4089.