Chemical shifts of diamagnetic azafullerenes: (C59N) 2 and C59HN

Chemical Physics Letters

Volumn 274, Issue 1-3, 1997, Pages 231-234

  Bühl, Michael ^a   Curioni, Alessandro ^b   Andreoni, Wanda ^b  

^a UNIVERSITY OF ZURICH   (Switzerland)

^b IBM RESEARCH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031206240     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00676-3     Document Type: Article

References (23)

1. [1] J.C. Hummelen, B. Knight, J. Pavlovich, R. Gonzales, F. Wudl, Science 269 (1995) 1554.
2. [2] M. Keshavarz-K., R. Gonzales, R.G, Hicks, G. Srdanov, V.I. Srdanov, T.G. Collins, J.C. Hummelen, C. Bellavia-Lund, J. Pavlovich, F. Wudl, K. Holczer, Nature 383 (1996) 147.
3. [3] W. Andreoni, A. Curioni, K. Holczer, K. Prassides, M. Keshavarz-K., J.C. Hummelen, F. Wudl, J. Am. Chem. Soc. 118 (1996) 11335.
4. [4] T. Pichler, M. Knupfer, M.S. Golden, S. Haffner, R. Friedlein, J. Fink, W. Andreoni, A. Curioni, M. Keshavarz-K., C. Bellavia-Lund, A. Sastre, J.C. Hummelen, F. Wudl, Phys. Rev. Lett. (in press).
5. [5] F. Wudl, private communication.
6. [6] CRC Handbook Chemistry and Physics, 75th edition, Ed. D.R. Lide (1995) pp. 9-88.
7. [7] A.D. Becke, Phys. Rev. A 38 (1988) 3098.
8. [8] C. Lee, W. Yang, R.G. Parr, Phys. Rev. B 37 (1988) 785.
9. [9] F. Mauri, B. Pfrommer, S.G. Louie, Phys. Rev. Lett. 77 (1996) 5300.
10. [10] R. Ditchfield, Mol. Phys. 27 (1974) 789.
11. [11] K. Wolinski, J.F. Hinton, P. Pulay, J. Am. Chem. Soc. 112 (1990) 8251.
12. [12] M. Häser, R. Ahlrichs, H.P. Baron, P. Weiss, H. Horn, Theor. Chim. Acta 83 (1992) 455.
13. [13] R. Ahlrichs, M. Bär, M. Häser, H. Horn, M. Kölmel, Chem. Phys. Lett. 162 (1989) 165.
14. [14] K. Hedberg, L. Hedberg, D.S. Bethune, C.A. Brown, H.C. Dorn, R.D. Johnson, M. deVries, Science 254 (1991) 410.
15. [15] See e.g. J. Cioslowski, Electronic Structure Calculations on Fullerenes and their Derivatives (Oxford University Press, Oxford, England, 1995) p. 66.
16. [16] K. Hedberg, L. Hedberg, M. Bühl, D.S. Bethune, C.A. Brown, R.D. Johnson, J. Am. Chem. Soc. (in press).
17. [17] D.B. Chesnut, B.E. Rusiloski, K.D. Moore, D.A. Egolf, J. Comput. Chem. 14 (1993) 1364.
18. [18] S. Huzinaga, Approximate Atomic Wave Functions, University of Alberta, Edmonton, Canada (1971).
19. [19] T.H. Dunning, J. Chem. Phys. 53 (1970) 2823.
20. [20] T.H. Dunning, J. Chem. Phys. 55 (1971) 716.
21. [21] D.B. Chesnut, in: Reviews in Computational Chemistry, Vol. 8, Eds. K.B. Lipkowitz, D.B. Boyd (VCH Publishers, New York, 1996) p. 245.
22. [22] H.O. Kalinowski, Carbon-13 NMR Spectroscopy (Wiley, Chichester, 1988).
23. [23] W. Kutzelnigg, U. Fleischer, M. Schindler, in: NMR Basis Principles and Progress, Vol. 23 (Springer, Berlin, 1990) p. 165.