Transferable polarizabilities for the alkanes

Molecular Physics

Volumn 102, Issue 9-10, 2004, Pages 985-991

  Williams, Greg J ^a   Stone, Anthony J ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ATOM-ATOM DISPERSION COEFFICIENTS; INTERMOLECULAR POTENTIAL; MOLECULAR POLARIZABILITIES;

AMINO ACIDS; ANISOTROPY; COMPUTER SIMULATION; CONSTRAINT THEORY; POLARIZATION; PROBABILITY DENSITY FUNCTION;

PARAFFINS;

EID: 4444361562     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970410001723000     Document Type: Article

References (24)

1. DAY, P. N., JENSEN, J. H., GORDON, M. S., WEBB, S. P., STEVENS, W. J., KRAUSS, M., GARMER, D., BASCH, H., and COHEN, D., 1996, J. chem. Phys., 105, 1968.
2. FREITAG, M. A., GORDON, M. S., JENSEN, J. H., and STEVENS, W. J., 2000, J. chem. Phys., 112, 7300.
3. RICK, S. W., and STUART, S. J., 2002, Rev. comput. Chem., 18, 89.
4. LE FÈVRE, R. J. W., 1965, Adv. phys. org. Chem., 3, 1.
5. THOMAS, G. F., and MEATH, W. J., 1977, Molec. Phys., 34, 113.
6. JHANWAR, B. L., MEATH, W. J., and MACDONALD, J. C. F., 1981, Can. J. Phys., 59, 185.
7. LE SUEUR, C. R., and STONE, A. J., 1994, Molec. Phys., 83, 293.
8. STONE, A. J., HATTIG, C., JANSEN, G., and ANGYAN, J. G., 1996, Molec. Phys., 89, 595.
9. STONE, A. J., 1985, Molec. Phys., 56, 1065.
10. BADER, R., 1990, Atoms in Molecules (Oxford: Clarendon Press).
11. FERRARO, M. B., CAPUTO, M. C., and LAZZERETTI, P., 1998, J. chem. Phys., 109, 2987.
12. ZITTO, M. E., CAPUTO, M. C., FERRARO, M. B., and LAZZERETTI, P., 2001, J. chem. Phys., 114, 4053.
13. WILLIAMS, G. J., and STONE, A. J., 2003, J. chem. Phys., 119, 4620.
14. STEPHENS, P. J., DEVLINE, F., CHABALOWSKI, C. F., and FRISCH, M. J., 1994, J. phys. Chem., 98, 11623.
15. NORMAN, P., JIEMCHOOROJ, A., and SERNELIUS, B. E., 2003, J. chem. Phys., 118, 9167.
16. SADLEJ, A. J., 1988, Coll. Czech Chem. Commun., 53, 1995.
17. SADLEJ, A. J., 1991, Theor. Chim. Acta, 79, 123.
18. AMOS, R. D., 1995, CADPAC: The Cambridge Analytic Derivatives Package, Issue 6, Technical report, University of Cambridge, a suite of quantum chemistry programs developed by R. D. Amos with contributions from I. L. Alberts, J. S. Andrews, S. M. Colwell, N. C. Handy, D. Jayatilaka, P. J. Knowles, R. Kobayashi, K. E. Laidig, G. Laming, A. M. Lee, P. E. Maslen, C. W. Murray, J. E. Rice, E. D. Simandiras, A. J. Stone, M. D. Su and D. J. Tozer.
19. APPLEQUIST, J., CARL, J. R., and FUNG, K.-K., 1972, J. Am. chem. Soc., 94, 2952.
20. APPLEQUIST, J., 1985, J. chem. Phys., 83, 809.
21. THOLE, B. T., 1981, Chem. Phys., 59, 341.
22. MASSOULIER, M. A., 1968, Compt. Rend. Acad. Sci. (Paris), 267B, 132.
23. HAVERKORT, J. E. M., BAAS, F., and BEENAKKER, J. J. M., 1983, Chem. Phys., 79, 105.
24. VAN CAILLIE, C., and AMOS, R. D., 1998, Chem. Phys. Lett., 291, 71.