Bond energies and hardness differences

Journal of Physical Chemistry A

Volumn 101, Issue 49, 1997, Pages 9464-9469

  Gázquez, José L ^a  

^a UNIVERSIDAD AUTÓNOMA METROPOLITANA   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; CHARGE TRANSFER; COMPUTATIONAL METHODS; ELECTRONIC DENSITY OF STATES;

CHEMICAL POTENTIALS;

CHEMICAL BONDS;

EID: 0031553297     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp971933t     Document Type: Article

References (38)

1. Parr, R.G.; Yang, W. Density-functional theory of atoms and molecules; Oxford: New York, 1989.
2. Parr, R.G.; Donnelly, R.A.; Levy, M.; Palke, W.E. J. Chem. Phys. 1978, 68, 3801.
3. Parr, R.G.; Pearson, R.G. J. Am. Chem. Soc. 1983, 105, 7512.
4. Yang, W.; Parr, R.G. Proc. Natl. Acad. Sci. U.S.A. 1985, 82, 6723.
5. Pearson, R.G. J. Am. Chem. Soc. 1985, 107, 6801.
6. Pearson, R.G. J. Chem. Educ. 1987, 64, 561.
7. Pearson, R.G. Inorg. Chem. 1988, 27, 734.
8. Datta, D. Inorg. Chem. 1992, 31, 2797.
9. Pearson, R.G. J. Am. Chem. Soc. 1963, 85, 3533.
10. Pearson R.G. Hard and soft acids and bases; Dowden, Hutchinson and Ross: PA, 1973.
11. Nalewajski, R.F. J. Am. Chem. Soc. 1984, 106, 944.
12. Chattaraj, P.K.; Lee, H.; Parr R.G. J. Am. Chem. Soc. 1991, 113, 1855.
13. Gázquez, J. L. In Chemical hardness; Sen, K.D., Ed.; Struct. Bonding 1993, 80, 27.
14. Gázquez, J.L.; Méndez, F. J. Phys. Chem. 1994, 98, 4591.
15. Li, Y.; Evans, J.N.S. J. Am. Chem. Soc. 1995, 117, 7756.
16. Gázquez, J.L. J. Phys. Chem. 1997, 101, 4657.
17. Sanderson, R.T. Science 1951, 114, 670.
18. Sanderson, R.T. Chemical bonds and bond energy; Academic Press: New York, 1971.
19. Parr, R.G.; Chattaraj, P.K. J. Am. Chem. Soc. 1991, 113, 1854.
20. Parr, R.G.; Gázquez, J.L. J. Phys. Chem. 1993, 97, 3939.
21. Gázquez, J.L.; Martinez, A.; Méndez, F. J. Phys. Chem. 1993, 97, 4059.
22. Liu, S.; Parr, R.G. J. Chem. Phys. 1997, 106, 5578.
23. Pearson, R.G. Coord. Chem. Rev. 1990, 100, 403, and references therein.
24. Pearson, R.G. Inorg. Chim. Acta 1995, 240, 93.
25. Parr, R.G.; Yang, W. J. Am. Chem. Soc, 1984, 106, 4049.
26. Parr, R.G.; Liu, S.; Kugler, A.A.; Nagy, A. Phys. Rev. A 1995, 52, 969.
27. Ghanty, T.K.; Ghosh, S.K. Inorg. Chem. 1992, 31, 1951.
28. Nalewajski, R.F.; Korchowiec, J.; Zhou, Z. Int. J. Quantum Chem. 1988, 522, 349.
29. Yang, W.; Lee, C.; Ghosh, S.K. J. Phys. Chem. 1985, 89, 5412.
30. Gázquez, J.L. J. Phys. Chem., in press.
31. Fuentealba, P.; Parr, R.G. J. Chem. Phys. 1991, 94, 5559.
32. Ghanty, T.K.; Ghosh, S.K. J. Phys. Chem. 1994, 98, 1840.
33. Yang, W.; Mortier, W.J. J. Am. Chem. Soc. 1986, 108, 5708.
34. Méndez, F,; Gázquez, J.L. J. Am. Chem. Soc. 1994, 116, 9298.
35. Méndez, F.; Gázquez, J. L. In Theoretical models for structure, properties and dynamics in chemistry; Gadre, S. R., Ed.; Proc. Indian Acad. Sci., Chem. Sci. 1994, 106, 183.
36. Pearson, R.G. Inorg. Chim. Acta 1992, 198-200, 781.
37. Misra, G.P.; Sannigrahi, A.B. J. Mol. Struct. (THEOCHEM) 1996, 361, 63.
38. Pal, S.; Roy, R.; Chandra, A.K. J. Phys. Chem. 1994, 98, 2314.