Predicting the proton shielding anisotropy in HF···CO2: A use of distributed magnetizabilities

Molecular Physics

Volumn 96, Issue 8, 1999, Pages 1225-1229

  Buckingham, A D ^a   Tantirungrotechai, Y ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0011002221     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268979909483067     Document Type: Article

References (19)

1. Jameson, C. J., and de Dios, A. C., 1992. J. chem. Phys., 97:417 Jameson, C. J., and de Dios, A. C., 1993, J. chem. Phys.98, 2208.
2. Barszczewicz, A., Jaszuński, M., Helgaker, T., and Ruud, K., 1996. Chem. Phys. Lett., 250:1
3. Hinton, J. F., Guthrie, P., Pulay, P., and Wolinski, K., 1992. J. Amer. chem. Soc., 114:1604
4. Pines, A., Ruben, D. J., Vegga, S., and Mehring, M., 1976. Phys. Rev. Lett., 36:110 Ryan, L. M., Wilson, R. C., and Gerstein, B. C., 1977, Chem. Phys. Lett.52, 341;Rhim, W. K., and Burum, D. P., 1979, J. chem. Phys.71, 3139.
5. Buckingham, A. D., and Tantirungrotechai, Y., 1999. Molec. Phys., 96:1217
6. Baiocchi, F. A., Dixon, T. A., Joyner, C. H., and Klemperer, W., 1981. J. chem. Phys., 74:6544
7. Buckingham, A. D., 1960. Can. J. Chem., 38:300
8. Henrichsen, G., 1888. Wied. Ann., 34:180
9. Pascal, P., 1910. Ann. Chim. Phys., 19:5
10. Zanasi, R., and Lazzeretti, P., 1986. J. chem. Phys., 85:5924
11. Ruud, K., Skaane, H., Helgaker, T., Bak, K. L., and Jørgensen, P., 1994. J. Amer. chem. Soc., 116:10135
12. Åstrand, P.-O., and Mikkelsen, K. V., 1998. Mag. Res. Chem., 36:92
13. Bader, R. F. W., and Keith, T. A., 1993. J. chem. Phys., 99:3683
14. Bader, R. F. W., 1990. Atoms in Molecules:A Quantum Theory Oxford:Oxford University Press.
15. Jameson, C. J., and Buckingham, A. D., 1980. J. chem. Phys., 73:5684
16. Stone, A. J., 1981. Chem. Phys. Lett., 83:233 Stone, A. J., 1985, Molec. Phys.56, 1065.
17. Helgaker, T., Jensen, H. J. Aa., Jørgensen, P., Olsen, J., Ruud, K., Ågren, H., Andersen, T., Bak, K. L., Bakken, V., Christiansen, O., Dahle, P., Dalskov, E. K., Enevoldsen, T., Fernandez, B., Heiberg, H., Hettema, H., Jonsson, D., Kirpekar, S., Kobayashi, R., Koch, H., Mikkelsen, K. V., Norman, P., Packer, M. J., Saue, T., Taylor, P. R., and Vahtras, O., 1997. Dalton:an electronic structure program, Release 1.0.
18. Alberts, I. L., Andrews, J. S., Colwell, S. M., Handy, N. C., Jayatilaka, D., Knowles, P. J., Kobayashi, R., Laidig, K. E., Laming, G., Lee, A. M., Maslen, P. E., Murray, C. W., Rice, J. E., Simandiras, E. D., Stone, A. J., Su, M.-D., and Tozer, D. J., CADPAC:The Cambridge Analytic Derivatives Package Issue 6, Cambridge, 1995. A suite of quantum chemistry programs developed by Amos, R. D. with contributions from
19. McConnell, H. M., 1957. J. chem. Phys., 27:226