Relativistic study of nuclear magnetic shielding constants: Hydrogen halides

Chemical Physics Letters

Volumn 254, Issue 3-4, 1996, Pages 170-178

  Ballard, Charles C ^a   Hada, Masahiko ^a   Kaneko, Hiroaki ^a   Nakatsuji, Hiroshi ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b INSTITUTE FOR FUNDAMENTAL CHEMISTRY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030599982     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00266-7     Document Type: Article

References (27)

1. [1] D. Kolb, W.R. Johnson and P. Shorer, Phys. Rev. A 26 (1982) 19.
2. [2] P. Pyykkö, Relativistic theory of atoms and molecules, Lecture notes in chemistry, No. 41 (1986) and No. 60 (1993), Springer Verlag, Berlin.
3. [3] P. Pyykkö, Chem. Phys. Letters 96 (1983) 204.
4. [4] N.C. Pyper, Chem. Phys. Letters 96 (1983) 204.
5. [5] Z.C. Zhang and G.A. Webb, J. Mol. Struct. 104 (1985) 439.
6. [6] I. Morishima, K. Endo and T. Yonezawa, J. Chem. Phys. 59 (1973) 3356.
7. [7] M.I. Volodicheva and T.K. Rebane, Theoret. Exp. Chem. (English Transl.) 14 (1978) 348.
8. [8] A.A. Cheresmin and P.V. Schastnev, J. Magn. Reson. 40 (1980) 459.
9. [9] H. Nakatsuji, H. Takashima and M. Hada, Chem. Phys. Letters 233 (1995) 95.
10. [10] H. Takashima, M. Hada and H. Nakatsuji, Chem. Phys. Letters 235 (1995) 13.
11. [11] H. Nakatsuji, T. Nakajima, M. Hada, H. Takashima and S. Tanaka, Chem. Phys. Letters 247 (1995) 418.
12. [12] H. Nakatsuji, M. Hada, T. Tejima, T. Nakajima and M. Sugimoto, Chem. Phys. Letters, in press.
13. [13] J. Sucher, Phys. Rev. A 22 (1980) 348.
14. [14] B.A. Hess, Phys. Rev. A 32 (1985) 756.
15. [15] B.A. Hess, Phys. Rev. A 32 (1986) 3742.
16. [16] P. Pyykkö, Adv. Quantum Chem. 11 (1978) 353.
17. [17] A. Pizlo, G. Jansen, B.A. Hess and W. von Niessen, J. Chem. Phys. 98 (1993) 3945.
18. [18] B.A. Hess and P. Chandra, Physica Scripta 36 (1987) 412.
19. [19] H.D. Cohen, C.C.J. Roothaan, J. Chem. Phys. 43 (1965) 534.
20. [20] R. Samzow, B.A. Hess and G. Jansen, J. Chem. Phys. 96 (1992) 1227.
21. [21] R. Samzow and B.A. Hess, J. Chem. Phys. 96 (1992) 1227.
22. [22] S. Huzinaga, J. Chem. Phys., 42 (1965) 1293; T.H. Dunning, Jr., J. Chem. Phys., 53 (1970) 2823.
23. [22] S. Huzinaga, J. Chem. Phys., 42 (1965) 1293; T.H. Dunning, Jr., J. Chem. Phys., 53 (1970) 2823.
24. [23] S. Huzinaga, J. Andzelm, M. Klobukowski, E. Radzio-Andzelm, Y. Sakai and H. Tatewaki, Gaussian Basis Sets for Molecular Calculations (Elsevier, Amsterdam, 1984).
25. [24] M. Sugimoto and H. Nakatsuji, J. Chem. Phys. 102 (1995) 285.
26. [25] Y. Ishikawa, Intern. J. Quantum Chem. S18 (1984) 375.
27. [26] P. Pyykkö, Report for the workshop on the calculation of NMR parameters, held at the University of Helsinki, Finland on 11-14 December, 1995, sponsored by the European Science Foundation.