Substituent effects

Journal of Physical Chemistry A

Volumn 109, Issue 25, 2005, Pages 5602-5607

  Chattaraj, Pratim K ^a,b   González Rivas, Nelly ^a   Matus, Myrna H ^a   Galván, Marcelo ^a  

^a DEPARTAMENTO DE QUÍMICA   (Mexico)

^b INDIAN INSTITUTE OF TECHNOLOGY   (India)

Author keywords

[No Author keywords available]

Indexed keywords

AMMONIA; CHLORINE; CORRELATION METHODS; FREE ENERGY; MATHEMATICAL MODELS; METHANE; NITROGEN OXIDES; REACTION KINETICS; SOLVENTS;

CHEMICAL PROPERTIES; ELECTRON DONORS; INTERMOLECULAR REACTIVITY; RESONANCE EFFECTS;

RESONANCE;

EID: 22744442070     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045319a     Document Type: Article

References (19)

1. (a) March, J. Advanced Organic Chemistry: Reactions, Mechanisms and Structure, 4th ed.; John Wiley: New York, 1992.
2. (b) Finar, I. L. Organic Chemistry: The Fundamental Principle, 6th ed.; English Language Book Society, London, 1990.
3. (c) Carey, F. A.; Sundberg, R. J. Advanced Organic Chemistry (Part A): Structure and Mechanism, 4th ed.; Plenum Press: New York, 2000.
4. Jaffe, H. H. Chem. Rev. 1953, 53, 191.
5. Geerlings, P.; De Proft, F.; Langenaeker, W. Chem. Rev. 2003, 103, 1793.
6. Parr, R. G.; Yang, W. Density Functional Theory of Atoms and Molecules; Oxford University Press: New York, 1989.
7. Parr, R. G.; Donnelly, R. A.; Levy, M.; Palke, W. E. J. Chem. Phys. 1978, 68, 3801.
8. Sen, K. D., Jørgensen, C. K., Eds., Electronegativity, Structure and Bonding 66; Springer-Verlag: Berlin, 1987.
9. Parr, R. G.; Pearson, R. G. J. Am. Chem. Soc. 1983, 105, 7512.
10. Sen, K. D. Hardness, Structure and Bonding 80; Springer-Verlag: Berlin, 1993.
11. Pearson, R. G. Chemical Hardness: Applications from Molecules to Solids; Wiley-VHC: Weinheim, 1997.
12. Parr, R. G.; Yang, W. J. Am. Chem. Soc. 1984, 106, 4049.
13. Yang, W.; Parr, R. G. Proc. Natl. Acad. Sci. 1985, 82, 6723.
14. (a) Chattaraj, P. K. J. Phys. Chem. A 2001, 105, 511.
15. (b) Melín, J.; Aparicio, F.; Subramanian, V.; Galvan, M.; Chattaraj, P. K. J. Phys. Chem. A 2004, 108, 2487.
16. Pearson, R. G. Inorg. Chem. 1988, 27, 734.
17. Contreras, R. R.; Fuentealba, P.; Galván, M.; Pérez, P. Chem. Phys. Lett. 1999, 304, 405.
18. Yang, W.; Mortier, W. J. J. Am. Chem. Soc. 1986, 108, 5708.
19. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.7; Gaussian, Inc.: Pittsburgh, PA, 1998.