Interaction energies and NMR chemical shifts of noble gases in C60

Chemical Physics Letters

Volumn 275, Issue 1-2, 1997, Pages 14-18

  Bühl, Michael ^a   Patchkovskii, Serguei ^a   Thiel, Walter ^a  

^a UNIVERSITY OF ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031583453     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00733-1     Document Type: Article

References (34)

1. [1] M. Saunders, H.J. Jiménez-Vázquez, R.J. Cross, S. Mroczkowski, R.J. Cross, D.E. Giblin, R.J. Poreda, J. Am. Chem. Soc. 116 (1994) 2193.
2. [2] S. Patchkovskii, W. Thiel, J. Am. Chem. Soc. 118 (1996) 7164.
3. [3] S. Patchkovskii, W. Thiel, Helv. Chim. Acta 80 (1997) 495.
4. [4] H.A. Jiménez-Vázquez, R.J. Cross, J. Chem. Phys. 104 (1996) 5589.
5. [5] S. Patchkovskii, W. Thiel, J. Chem. Phys. 106 (1997) 1796.
6. [6] L. Pang, F. Brisse, J. Phys. Chem. 97 (1993) 8562.
7. [7] M.-S. Son, Y.K. Sung, Chem. Phys. Lett. 245 (1995) 113.
8. [8] P. Hobza, O. Bludsky, H.L. Selzle, E.W. Schlag, J. Chem. Phys. 97 (1992) 335.
9. [9] W. Klopper, H.P. Lüthi, T. Brupbacher, A. Bauder, J. Chem. Phys. 101 (1994) 9747.
10. [10] S.F. Boys, F. Bernardi, Mol. Phys. 19 (1970) 553.
11. [11] M. Saunders, H.A. Jiménez-Vázquez, R.J. Cross, S. Mroczkowski, D.I. Freedberg, F.A.L. Anet, Nature 367 (1994) 256.
12. [12] M. Saunders, R.J. Cross, H.A. Jiménez-Vázquez, R. Shimshi, A. Khong, Science 271 (1996) 1693.
13. [13] S. Berger, S. Braun and H.O. Kalinowski, NMR-Spektroskopie von Nichtmetallen, Band 1 (Thieme, Stuttgart, 1992).
14. [14] A. Freitag, C.v. Wüllen, V. Staemmler, Chem. Phys. 192 (1995) 267.
15. [15] S. Tanaka, M. Sugimoto, H. Takashima, M. Hada, H. Nakatsuji, Bull. Chem. Soc. Jpn. 69 (1996) 953.
16. [16] W. Hehre, L. Radom, P.v.R. Schleyer and J.A. Pople, Ab Initio Molecular Orbital Theory (Wiley, New York, 1986).
17. [17] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. DeFrees, J. Baker, J.J.P. Stewart, M. Head-Gordon, C. Gonzalez and J.A. Pople, Gaussian 94, Pittsburgh PA (1995).
18. [18] A. Schäfer, H. Horn, R. Ahlrichs, J. Chem. Phys. 97 (1992) 2571.
19. [19] A. Schäfer, H. Horn and R. Ahlrichs, unpublished (obtained via ftp as described in 18).
20. [20] S. Huzinaga, Approximate Atomic Wave Functions (University of Alberta, Edmonton, 1971).
21. [21] R. Ditchfield, Mol. Phys. 27 (1974) 789.
22. [22] K. Wolinski, J.F. Hinton, P. Pulay, J. Am. Chem. Soc. 112 (1990) 8251.
23. [23] M. Häser, R. Ahlrichs, H.P. Baron, P. Weiss, H. Horn, Theor. Chim. Acta 83 (1992) 455.
24. [24] W. Kutzelnigg, U. Fleischer and M. Schindler, in: NMR Basic Principles and Progress, Vol. 23 (Springer, Berlin, 1990) p. 167.
25. [25] S. Huzinaga, M. Klobukowski, J. Mol. Struct. 167 (1988) 1.
26. [26] M. Häser, J. Almlöf, G.E. Scuseria, Chem. Phys. Lett. 181 (1991) 497.
27. [27] M. Bühl, C.v. Wüllen, Chem. Phys. Lett. 247 (1995) 63.
28. [28] J. Gauss, Chem. Phys. Lett. 191 (1992) 614.
29. [29] J. Gauss, J. Chem. Phys. 99 (1993) 3629.
30. [30] R. Ahlrichs, M. Bär, M. Häser, H. Horn, M. Kölmel, Chem. Phys. Lett. 154 (1989) 165.
31. [31] J.F. Stanton, J. Gauss, J.D. Watts, W.J. Lauderdale, R.J. Bartlett, Int. J. Quantum Chem. Symp. 26 (1992) 879.
32. [32] A. Pasquerello, M. Schlüter and R.C. Haddon, Phys. Rev. A (1993) 1783.
33. [33] M. Saunders, H.A. Jiménez-Vázquez, R.J. Cross, W.E. Billups, C. Gesenberg, A. Gonzales, W. Luo, R.C. Haddon, F. Diederich, A. Herrmann, J. Am. Chem. Soc. 115 (1995) 9305.
34. [34] K.W. Miller, N.V. Reo, A.J.M. Schoot-Viterkamp, D.P. Stengle, T.R. Stengle, K.L. Williamson, Proc. Natl. Acad. Sci. U.S.A. 78 (1981) 4946.