Resolution of molecular polarizabilities of CH3-X and CH3-CH2-X derivatives into atomic terms

Journal of Chemical Physics

Volumn 114, Issue 9, 2001, Pages 4053-4057

  Zitto, M E ^a   Caputo, M C ^a   Ferraro, M B ^a   Lazzeretti, P ^b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ATOMS; COMPUTATIONAL METHODS; DERIVATIVES; POLARIZATION; SUBSTITUTION REACTIONS;

ELECTRIC DIPOLE; MOLECULAR POLARIZABILITIES;

MOLECULAR DYNAMICS;

EID: 0035281250     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1343902     Document Type: Article

References (46)

1. P. Pascal. Ann. Chim. Phys. 19, 5 (1910).
2. P. Pascal. Ann. Chim. Phys. 25, 289 (1912).
3. P. Pascal, Ann. Chim. Phys. 24, 218 (1913).
4. P. W. Selwood, Magnetochemistry, 2nd ed. (Interscience, New York, 1956).
5. R. F. W. Bader, Atoms in Molecules-A Quantum Theory (Oxford U.P., Oxford, 1990).
6. R. F. W. Bader, Chem. Rev. 91, 893 (1991).
7. R. F. W. Bader, Acc. Chem. Res. 18, 9 (1985).
8. T. A. Keith and R. F. W. Bader, Can. J. Chem. 74, 185 (1996).
9. R. F. W. Bader and T. T. Nguyen-Dang, Adv. Quantum Chem. 14, 63 (1981).
10. J. Applequist, Acc. Chem. Res. 10, 79 (1977).
11. J. Delhommelle, G. Granucci, V. Brenner, P. Millié, A. Boutin, and A. H. Fuchs, Mol. Phys. 97, 1117 (1999).
12. N. Celebi, J. G. Ángyán, F. Dehez, C. Millot, and C. Chipot, J. Chem. Phys. 112, 2709 (2000).
13. M. B. Ferraro, M. Caputo, and P. Lazzeretti, J. Chem. Phys. 109, 2987 (1998).
14. M. B. Ferraro and M. C. Caputo, J. Chem. Phys. 110, 10706 (1999).
15. P. Lazzeretti, M. C. Caputo, and M. B. Ferraro, Chem. Phys. 246, 75 (1999).
16. M. E. Zitto, M. C. Caputo, M. B. Ferraro, and P. Lazzeretti, Chem. Phys. 259, 1 (2000).
17. M. Goeppert-Mayer, Ann. Phys. (Leipzig) 9, 273 (1931).
18. P. Lazzeretti, Adv. Chem. Phys. 75, 507 (1987).
19. S. T. Epstein, The Variation Method in Quantum Chemistry (Academic, New York, 1974).
20. P. Lazzeretti and R. Zanasi, Phys. Rev. A 32. 2607 (1985).
21. P. Lazzeretti, R. Zanasi, and W. T. Raynes, J. Chem. Phys. 87, 1681 (1987).
22. R. Moccia, Chem. Phys. Lett. 5, 265 (1970).
23. L. Pauling, J. Am. Chem. Soc. 54, 3570 (1932).
24. P. Pascal, Ann. Chim. Phys. 19, 5 (1910).
25. P. Pascal, Ann. Chim. Phys. 25, 289 (1912).
26. P. Pascal, Ann. Chim. Phys. 24, 218 (1913).
27. P. W. Selwood, Magnetochemistry, 2nd ed. (Interscience, New York, 1956).
28. R. F. W. Bader, Atoms in Molecules-A Quantum Theory (Oxford U.P., Oxford, 1990).
29. R. F. W. Bader, Chem. Rev. 91, 893 (1991).
30. R. F. W. Bader, Acc. Chem. Res. 18, 9 (1985).
31. T. A. Keith and R. F. W. Bader, Can. J. Chem. 74, 185 (1996).
32. R. F. W. Bader and T. T. Nguyen-Dang, Adv. Quantum Chem. 14, 63 (1981).
33. J. Applequist, Acc. Chem. Res. 10, 79 (1977).
34. J. Delhommelle, G. Granucci, V. Brenner, P. Millié, A. Boutin, and A. H. Fuchs, Mol. Phys. 97, 1117 (1999).
35. N. Celebi, J. G. Ángyán, F. Dehez, C. Millot, and C. Chipot, J. Chem. Phys. 112, 2709 (2000).
36. M. B. Ferraro, M. Caputo, and P. Lazzeretti, J. Chem. Phys. 109, 2987 (1998).
37. M. B. Ferraro and M. C. Caputo, J. Chem. Phys. 110, 10706 (1999).
38. P. Lazzeretti, M. C. Caputo, and M. B. Ferraro, Chem. Phys. 246, 75 (1999).
39. M. E. Zitto, M. C. Caputo, M. B. Ferraro, and P. Lazzeretti, Chem. Phys. 259, 1 (2000).
40. M. Goeppert-Mayer, Ann. Phys. (Leipzig) 9, 273 (1931).
41. P. Lazzeretti, Adv. Chem. Phys. 75, 507 (1987).
42. S. T. Epstein, The Variation Method in Quantum Chemistry (Academic, New York, 1974).
43. P. Lazzeretti and R. Zanasi, Phys. Rev. A 32, 2607 (1985).
44. P. Lazzeretti, R. Zanasi, and W. T. Raynes, J. Chem. Phys. 87, 1681 (1987).
45. R. Moccia, Chem. Phys. Lett. 5, 265 (1970).
46. L. Pauling, J. Am. Chem. Soc. 54, 3570 (1932).