Influence of electron correlation effects on calculated properties and vibrational spectra of FF ⋯ NH3 and FC1 ⋯ NH3 charge transfer complexes

Journal of Molecular Structure

Volumn 376, Issue 1-3, 1996, Pages 343-351

  Latajka, Z ^a,c   Scheiner, S ^a   Bouteiller, Y ^b   Ratajczak, H ^c,d  

^a SOUTHERN ILLINOIS UNIVERSITY   (United States)

^b SORBONNE UNIVERSITÉ   (France)

^c UNIVERSITY OF WROC AW   (Poland)

^d INSTITUTE OF LOW TEMPERATURE AND STRUCTURE RESEARCH   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0041464411     PISSN: 00222860     EISSN: None     Source Type: Journal    
DOI: 10.1016/0022-2860(95)09109-2     Document Type: Article

References (22)

1. (a) H. Ratajczak and W.J. Orville-Thomas (Eds.), Molecular Interactions, Vol. 1, Wiley, Chichester, 1980.
2. (b) R.R. Lucchese and H.F. Schaeffer III, J. Am. Chem. Soc., 97 (1975) 7205.
3. H. Umeyama, K. Morokuma and S. Yamabe, J. Am. Chem. Soc., 99 (1977) 330.
4. P. Kollmann, J. Am. Chem. Soc., 99 (1977) 4875.
5. (e) A.E. Reed, F. Weinhold, L.A. Curtiss and D.J. Pochatko. J. Chem. Phys., 84 (1986) 5687.
6. L. Andrews and R. Lascola, J. Am. Chem. Soc., 109 (1987) 6243.
7. N.P. Machara and B.S. Ault, J. Phys. Chem., 92 (1988) 2439.
8. J.S. Binkley, R.A. Whiteside, R. Krishnan, R. Seeger, D.J. DeFrees, H.B. Schlegel, S. Topiol, L.R. Kahn and J.A. Pople, GAUSSIAN 80 QCPE, Prog. No. 406, 1981.
9. C. Møller and M.S. Plesset, Phys. Rev., 46 (1934) 618. J.S. Binkley and J.A. Pople, Int. J. Quantum Chem., 9 (1975) 229.
10. C. Møller and M.S. Plesset, Phys. Rev., 46 (1934) 618. J.S. Binkley and J.A. Pople, Int. J. Quantum Chem., 9 (1975) 229.
11. P.C. Hariharan and J.A. Pople, Theor. Chim. Acta, 28 (1973) 213; Mol Phys., 27 (1974) 209.
12. P.C. Hariharan and J.A. Pople, Theor. Chim. Acta, 28 (1973) 213; Mol Phys., 27 (1974) 209.
13. M.M. Francl, W.J. Pietro, W.J. Hehre, J.S. Binkley, M.S. Gordon, D.J. DeFrees and J.A. Pople, J. Chem. Phys., 77 (1982) 3654.
14. R. Krishnan, J.S. Binkley, R. Seeger and J.A. Pople, J. Chem. Phys., 72 (1980) 650.
15. [8) A.D. McLean and G.S. Chandler, J. Chem. Phys., 72 (1980) 5639.
16. B. Bosen, Spectroscopic Data Relating to Diatomic Molecules. Pergamon Press, Oxford. 1970.
17. K.P. Huber and G. Herzberg, Molecular spectra and Molecular Structure. Vol. 4, Van Nostrand, New York, 1979.
18. R.E. Davis and J.S. Muenter, J. Chem. Phys., 57 (1972) 2836.
19. C. Mijoule, M. Allavena, J.M. Leclercq and Y. Bouteiller, Chem. Phys., 109 (1986) 207.
20. Y. Bouteiller, C. Mijoule, A. Karpfen, H. Lischka and P. Schuster, J. Phys. Chem., 91 (1987) 4464.
21. Y. Bouteiller, C. Mijoule, M.M. Szczesniak and S. Scheiner, J. Chem. Phys., 88 (1988) 4861.
22. A. Barnes, in H. Ratajczak and W.J. Orville-Thomas (Eds.), Molecular Interactions, Vol 1, Wiley, Chichester, 1980, Chapter 9.