Molecular electrostatic potentials as indicators of covalent radii

Journal of Chemical Physics

Volumn 104, Issue 13, 1996, Pages 5109-5111

  Wiener, John J M ^a   Grice, M Edward ^a   Murray, Jane S ^a   Politzer, Peter ^a  

^a UNIVERSITY OF NEW ORLEANS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000598053     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.471808     Document Type: Article

References (16)

1. G. Delgado-Barrio and R. F. Prat, Phys. Rev. A 12, 2288 (1975).
2. H. Weinstein, P. Politzer, and S. Srebrenik, Theor. Chim. Acta 38, 159 (1975).
3. E. Clementi, Tables of Atomic Functions (IBM, San Jose, CA, 1965).
4. P. Politzer, J. S. Murray, M. E. Grice, T. Brinck, and S. Ranganathan, J. Chem. Phys. 95, 6699 (1991).
5. P. Politzer and R. G. Parr, J. Chem. Phys. 64, 4634 (1976).
6. K. D. Sen, M. Slamet, and V. Sahni, Chem. Phys. Lett. 205, 313 (1993).
7. M. Kakkar and K. D. Sen, Chem. Phys. Lett. 226, 241 (1994).
8. R. K. Pathak and S. R. Gadre, J. Chem. Phys. 93, 1770 (1990).
9. S. R. Gadre, S. A. Kulkarni, and I. H. Shrivastava, J. Chem. Phys. 96, 5253 (1992).
10. GAUSSIAN 94 (Revision B3), M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrezewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley. D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez, and J. A. Pople (Gaussian, Inc., Pittsburgh, PA, 1995).
11. A. D. Becke, Phys. Rev. A 38, 3098 (1988).
12. C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1988).
13. R. F. W. Bader, P. M. Beddall, and P. E. Cade, J. Am. Chem. Soc. 93, 3095 (1971).
14. L. Pauling, The Nature of the Chemical Bond, 3rd ed. (Cornell University Press, Ithaca, NY, 1960).
15. R. F. W. Bader, Ace. Chem. Res. 8, 34 (1975);
16. R. F. W. Bader, Ace. Chem. Res. 18, 9 (1985).