Calculation of nuclear magnetic shieldings XIV. Relativistic mass-velocity corrected perturbation hamiltonians

Molecular Physics

Volumn 100, Issue 5, 2002, Pages 623-633

  Baba, T ^a   Fukui, H ^a  

^a KITAMI INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; HAMILTONIANS; PERTURBATION TECHNIQUES; VECTORS;

NUCLEAR MAGNETIC SHIELDINGS;

MAGNETIC SHIELDING;

EID: 0037051460     PISSN: 00268976     EISSN: None     Source Type: Journal    
DOI: 10.1080/00268970110096425     Document Type: Article

References (34)

1. Schneider, W.G., Bernstein, H.J., and Povle, J.A., 1958, J. chem. Phys., 28, 601.
2. Jackman, L.M., and Sternhill, S., 1969, Applications of Nuclear Magnetic Resonanee in Organic Chemistry, 2nd Edn (Oxford University Press).
3. Stothers, J.B., 1972, Carbon-13 NMR Spectroseopy (New York: Academic Press).
4. 13C NMR Spectroscopy, 3rd Edn (Weinheim: VCH).
5. Nomura, Y., Takeuchi, Y., and Nakagawa, N., 1969, Tetrahedron Lett., 8, 639.
6. Morishima, I., Endo, K., and Yonezawa, T., 1973, J. chem. Phys., 59, 3356.
7. Nakatsuji, H., Takashima, H., and Hada, M., 1995, Chem. Phys. Lett., 233, 95.
8. Ballard, C.C., Hada, M., Kaneko, H., and Nakatsuji, H., 1996, Chem. Phys. Lett., 254, 170.
9. Malkin, V.G., Malkina, O.L., and Salahub, D.R., 1996, Chem. Phys. Lett., 261, 335.
10. Wolff, S.K., and Ziegler, T., 1998, J. chem. Phys., 109, 895.
11. Vaara, J., Ruud, K., Vahtras, O., Ågren, H., and Jokisaari, J., 1998, J. chem. Phys., 109, 1212.
12. Minaev, B., Vaara, J., Ruud, K., Vahtras, O., and Ågren, H., 1998, Chem. Phys. Lett., 295, 455.
13. Malkina, O.L., Schimmelpfennig, B., Kaupp, M., Hess, B.A., Chandra, P., Wahlgren, U., and Malkin, V.G., 1998, Chem. Phys. Lett., 296, 93.
14. Vaara, J., Ruud, K., and Vahtras, O., 1999, J. chem. Phys., 111, 2900.
15. Visscher, L., Enevoldsen, T., Saue, T., Jensen, H.J.A.A., and Oddershede, J., 1999, J. comput. Chem., 20, 1262.
16. Vaara, J., Malkina, O.L., Stoll, H., Malkin, V.G., and Kaupp, M., 2001, J. chem. Phys., 114, 61.
17. Baba, T., and Fukui, H., 1999, J. chem. Phys., 110, 131.
18. Douglas, M., and Kroll, N.N., 1974, Ann. Phys. N. Y., 82, 89.
19. Hess, B.A., 1985, Phys. Rev. A, 32, 756.
20. Hess, B.A., 1986, Phys. Rev. A, 33, 3742.
21. Jansen, G., and Hess, B.A., 1989, Phys. Rev. A, 39, 6016.
22. Sucher, J., 1980, Phys. Rev. A, 22, 348.
23. Sucher, J., 1984, Intl. J. Quantum Chem., 25, 3.
24. Fukui, H., and Baba, T., 1998, J. chem. Phys., 108, 3854.
25. Kutzelnigg, W., 1997, Chem. Phys., 225, 203.
26. Nakajima, T., and Hirao, K., 2000, J. chem. Phys., 113, 7786.
27. Molzberger, K., and Schwarz, W.H.E., 1996, Theoret. Chim. Acta, 94, 213.
28. London, F., 1937, J. Phys. Radium, 8, 397.
29. Fukui, H., Baba, T., and Indomata, H., 1996, J. chem. Phys., 105, 3175; 1977, J. chem. Phys., 106, 2987.
30. Fukui, H., Baba, T., and Indomata, H., 1996, J. chem. Phys., 105, 3175; 1977, J. chem. Phys., 106, 2987.
31. Dodds, J.L., McWeeny, R., and Savlej, A.J., 1997, Molec. Phys., 34, 1779.
32. Edlund, U., Lejon, T., Pyykkö, P., Venkatachalam, T.K., and Buncel, E., 1987, J. Amer. chem. Soc., 109, 5982.
33. Pyykkö, P., 1988, Chem. Rev., 88, 563.
34. Gleichmann, M.M., and Hess, B.A., 1994, J. chem. Phys., 101, 9691.