Calculation of nuclear magnetic shieldings. XIII. Gauge-origin independent relativistic effects

Journal of Chemical Physics

Volumn 110, Issue 1, 1999, Pages 131-137

  Baba, T ^a   Fukui, H ^a  

^a KITAMI INSTITUTE OF TECHNOLOGY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001227797     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.478089     Document Type: Article

References (25)

1. I. Morishima, K. Endo, and T. Yonezawa, J. Chem. Phys. 59, 3356 (1973).
2. P. Pyykkö, Chem. Phys. 74, 1 (1983).
3. P. Pyykkö, A. Görling, and N. Rösch, Mol. Phys. 61, 195 (1987).
4. N. C. Pyper, Chem. Phys. Lett. 96, 204 (1983);
5. 96, 211 (1983).
6. Z. C. Zhang and G. A. Webb, J. Mol. Struct. 104, 439 (1983).
7. V. G. Malkin, O. L. Malkina, L. A. Eriksson, and D. R. Salahub, Theoretical and Computational Chemistry, edited by J. M. Seminario and P. Politzer (Elsevier, Amsterdom, 1995), Vol. 2, p. 273.
8. M. Kaupp, O. L. Malkina, and V. G. Malkin, Chem. Phys. Lett. 265, 55 (1997).
9. H. Nakatsuji, H. Takashima, and M. Hada, Chem. Phys. Lett. 233, 95 (1995).
10. C. C. Ballard, M. Hada, H. Kaneko, and H. Nakatsuji, Chem. Phys. Lett. 254, 170 (1996).
11. H. Kaneko, M. Hada, T. Nakajima, and H. Nakatsuji, Chem. Phys. Lett. 261, 1 (1996).
12. M. Hada, H. Kaneko, and H. Nakatsuji, Chem. Phys. Lett. 261, 7 (1996).
13. H. Nakatsuji, Z. M. Hu, and T. Nakajima, Chem. Phys. Lett. 275, 429 (1997).
14. H. Fukui and T. Baba, J. Chem. Phys. 108, 3854 (1998).
15. J. Sucher, Phys. Rev. A 22, 348 (1980).
16. J. Sucher, Ph.D. thesis, Columbia University, 1958.
17. M. Douglas and N. M. Kroll, Ann. Phys. (N.Y.) 82, 89 (1974).
18. P. Pyykkö, Chem. Rev. 88, 563 (1988).
19. H. Fukui, T. Baba, and H. Inomata, J. Chem. Phys. 105, 3175 (1996);
20. 106, 2987 (1997).
21. F. London, J. Phys. Radium 8, 397 (1937).
22. J. L. Dodds, R. McWeeny, and A. J. Sadlej, Mol. Phys. 34, 1779 (1977).
23. W. G. Schneider, H. J. Bernstein, and J. A. Pople, J. Chem. Phys. 28, 601 (1958).
24. N. Nakagawa, S. Sinada, and S. Obinata, The 6th NMR Symposium, Kyoto, 1967, p. 8 (unpublished).
25. Y. Nomura, Y. Takeuchi, and N. Nakagawa, Tetrahedron Lett. 8, 639 (1969).