Calculation of the linear response function by the atom-bond electronegativity equalization method (ABEEM)

Chemical Physics Letters

Volumn 330, Issue 1-2, 2000, Pages 132-138

  Wang, Chang Sheng ^a   Zhao, Dong Xia ^a,b   Yang, Zhong Zhi ^a,b  

^a LIAONING NORMAL UNIVERSITY   (China)

^b JILIN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0038031545     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(00)00938-6     Document Type: Article

References (19)

1. Hohenberg P., Kohn W. Phys. Rev. B. 136:1964;864.
2. Parr R.G., Yang W. Density Functional Theory of Atom and Molecules. 1989;Oxford University, New York.
3. Parr R.G., Yang W. J. Am. Chem. Soc. 106:1984;4049.
4. Fukui K., Yonezawa T., Shinga H. J. Chem. Phys. 20:1952;722.
5. Fukui K., Yonezawa T., Nagata C., Shinga H. J. Chem. Phys. 22:1954;1433.
6. Fukui K. Modern Quantum Chemistry. 1965;Academic Press, New York.
7. Yang W., Mortier W.J. J. Am. Chem. Soc. 108:1986;5708.
8. Parr R.G., Yang W. Ann. Rev. Phys. Chem. 46:1995;7018.
9. Langenaeker W., Proft F.D., Geerlings P. J. Mol. Struct. (Theochem.). 363:1996;175.
10. P. Geerlings, W. Langenaeker, F.D. Proft, A. Baeten, Molecular Electrostatic Potentials vs. DFT Descriptors of Reactivity in Theoretical and Computational Chemistry, vol. 3, Elsevier, Amsterdam, 1996.
11. Nalewajski R.F. J. Chem. Phys. 78:1983;6112.
12. Yang Z.Z., Wang C.S. J. Phys. Chem. A. 101:1997;6315.
13. Yang Z.Z., Wang C.S., Tang A.Q. Sci. China B. 41:1998;331.
14. Parr R.G., Donelly R.A., Levy M., Palke W.E. J. Chem. Phys. 68:1978;3801.
15. Sanderson R.T. Chemical Bond and Bond Energies. 1976;Academic Press, New York.
16. Sanderson R.T. Polar Covalence. 1983;Academic Press, New York.
17. Wang C.S., Li S.M., Yang Z.Z. J. Mol. Struct. (Theochem.). 430:1998;191.
18. Wang C.S., Yang Z.Z. J. Liaoning Normal Univ. Natural Sci. 22:1999;216.
19. Wang C.S., Yang Z.Z. J. Chem. Phys. 110:1999;6189.