Philicity: A unified treatment of chemical reactivity and selectivity

Journal of Physical Chemistry A

Volumn 107, Issue 25, 2003, Pages 4973-4975

  Chattaraj, Pratim Kumar ^a   Maiti, Buddhadev ^a   Sarkar, Utpal ^a  

^a INDIAN INSTITUTE OF TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SELECTIVITY;

CARRIER CONCENTRATION; DERIVATIVES; ELECTRONIC STRUCTURE; PROBABILITY DENSITY FUNCTION;

REACTION KINETICS;

EID: 0037742281     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034707u     Document Type: Article

References (26)

1. Pauling, L. The Nature of the Chemical Bond, 3rd ed.; Cornell University Press: Ithaca, NY, 1960.
2. Sen, K. D.; Jorgenson, C. K. Electronegativity: Structure and Bonding; Springer-Verlag: Berlin, 1987; Vol. 66.
3. Parr, R. G.; Donnelly, D. A.; Levy, M.; Palke, W. E. J. Chem. Phys. 1978, 68, 3801.
4. Pearson, R. G. J. Am. Chem. Soc. 1963, 85, 3533.
5. Parr, R. G.; Pearson, R. G. J. Am. Chem. Soc. 1983, 105, 7512.
6. Sen, K. D.; Mingos, D. M. P. Chemical Hardness: Structure and Bonding; Springer: Berlin, 1993; Vol. 80.
7. Pearson, R. G. Chemical Hardness: Application from Molecules to Solid; Wiley-VCH: Weinheim, Germany, 1997.
8. Parr, R. G.; Szentpály, L.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922. Maynard, A. T.; Huang. M.; Rice. W. G.; Covell. D. G. Proc. Natl. Acad. Sci. U. S. A. 1998, 95, 11578.
9. Parr, R. G.; Szentpály, L.; Liu, S. J. Am. Chem. Soc. 1999, 121, 1922. Maynard, A. T.; Huang. M.; Rice. W. G.; Covell. D. G. Proc. Natl. Acad. Sci. U. S. A. 1998, 95, 11578.
10. Fukui, K. Science 1982, 218, 747.
11. Parr, R. G.; Yang, W. J. Am. Chem. Soc. 1984, 106, 1976.
12. Yang, W.; Parr, R. G. Proc. Natl. Acad. Sci. U.S.A. 1985, 82, 1960.
13. Harbola, M. K.; Chattaraj, P. K.; Parr, R. G. Isr. J. Chem. 1991, 31, 395.
14. Lee, C.; Yang, W.; Parr, R. G. J. Mol. Struct. (THEOCHEM) 1988, 163, 305.
15. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: Oxford, U.K., 1989.
16. Yang, W.; Mortier, W. J. J. Am. Chem. Soc. 1986, 108, 5708.
17. Ayers, P. W.; Levy, M. Theor. Chem. Acc. 2000, 103, 353.
18. Geerlings, P.; De Proft, F.; Langenaeker, W. Chem. Rev., in press.
19. Roy, R. K.; Krishnamurti, S. M.; Geerlings, P.; Pal, S. J. Phys. Chem A 1998, 702, 3746.
20. Oláh, J.; van Alsenoy, C.; Sannigrahi, A. B. J. Phys. Chem. A 2002, 106, 3885. Tishchenko, O.; Pham-Tran, N.; Kryachko, E. S.; Nguyen, M. T. J. Phys. Chem. A 2001, 105, 8709. Fuentealba, P.; Contreras, R. In Reviews of Modem Quantum Chemistry; Sen, K. D., Ed.; World Scientific: Singapore, 2002; pp 1013-1052.
21. Oláh, J.; van Alsenoy, C.; Sannigrahi, A. B. J. Phys. Chem. A 2002, 106, 3885. Tishchenko, O.; Pham-Tran, N.; Kryachko, E. S.; Nguyen, M. T. J. Phys. Chem. A 2001, 105, 8709. Fuentealba, P.; Contreras, R. In Reviews of Modem Quantum Chemistry; Sen, K. D., Ed.; World Scientific: Singapore, 2002; pp 1013-1052.
22. Oláh, J.; van Alsenoy, C.; Sannigrahi, A. B. J. Phys. Chem. A 2002, 106, 3885. Tishchenko, O.; Pham-Tran, N.; Kryachko, E. S.; Nguyen, M. T. J. Phys. Chem. A 2001, 105, 8709. Fuentealba, P.; Contreras, R. In Reviews of Modem Quantum Chemistry; Sen, K. D., Ed.; World Scientific: Singapore, 2002; pp 1013-1052.
23. Perez, P.; Toro-Labbe, A.; Aizman, A.; Contreras, R. J. Org. Chem. 2002, 67, 4747. Chamorro, E.; Chattaraj, P. K.; Fuentealba, P. J. Chem. Phys., submitted for publication.
24. Perez, P.; Toro-Labbe, A.; Aizman, A.; Contreras, R. J. Org. Chem. 2002, 67, 4747. Chamorro, E.; Chattaraj, P. K.; Fuentealba, P. J. Chem. Phys., submitted for publication.
25. Chattaraj, P. K. J. Phys. Chem. A 2001, 705, 511.
26. Chattaraj, P. K.; Nath, S. Int. J. Quantum Chem. 1994, 49, 705.