Ab initio calculations on the structure, vibrational frequencies, and valence excitation energies of the benzene...Ar and benzene...Ar2 cluster

Chemical Physics Letters

Volumn 250, Issue 3-4, 1996, Pages 402-408

  Hobza, Pavel ^a,b   Bludský, Ota ^a,b   Selzle, Heinrich L ^a,b   Schlag, Edward W ^a,b  

^a INSTITUTE OF PHYSICS   (Czech Republic)

^b TECHNICAL UNIVERSITY OF MUNICH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0030101276     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/0009-2614(96)00008-5     Document Type: Article

References (29)

1. [1] P. Hobza, H.L. Selzle and E.W. Schlag, J. Chem. Phys. 93 (1990) 5893.
2. [2] P. Hobza, H.L. Selzle and E.W. Schlag, J. Phys. Chem. 97 (1993) 3937.
3. [3] P. Hobza, H.L. Selzle and E.W. Schlag, J. Am. Chem. Soc. 116 (1994) 3500.
4. [4] P. Hobza, H.L. Selzle and E.W. Schlag, Chem. Rev. 94 (1994) 1767.
5. [5] P. Hobza, H.L. Selzle and E.W. Schlag, J. Chem. Phys. 95 (1991) 391.
6. [6] O. Bludský, V. Špirko, V. Hrouda and P. Hobza, Chem. Phys. Letters 196 (1992) 410.
7. [7] P. Hobza, O. Bludský, H.L. Selzle and E.W. Schlag, J. Chem. Phys. 97 (1992) 335.
8. [8] P. Hobza, O. Bludský, H.L. Selzle and E.W. Schlag, J. Chem. Phys. 98 (1993) 6223.
9. [9] E. Shalev, N. Ben-Horin, U. Even and J. Jortner, J. Chem. Phys. 95 (1991) 3147.
10. [10] J.M. O. Matos, B.O. Roos and P.-A. Malmqvist, J. Chem. Phys. 86 (1987) 1458.
11. [11] B.O. Roos, K. Andersson and M.P. Fülscher, Chem. Phys. Letters 192 (1992) 5.
12. [12] K. Andersson, M.P. Fülscher, R. Lindh, P.-A. Malmquist, J. Olsen, B.O. Roos and A.J. Sadlej, University of Lund, and P.-O. Widmark, IBM, Sweden, MOLCAS version 2, 1991.
13. [13] T.H. Dunning, J. Chem. Phys. 53 (1970) 2823.
14. [14] G. Chalasinski, D.J. Funk, J. Simons and W.H. Breckenridge, J. Chem. Phys. 87 (1987) 3569.
15. [15] Th. Weber, A. von Bargen, E. Riedle and H.J. Neusser, J. Chem. Phys. 92 (1990) 90.
16. [16] Th. Weber and H.J. Neusser, J. Chem. Phys. 94 (1991) 7689.
17. [17] S.F. Boys and F. Bernardi, Mol. Phys. 19 (1970) 553.
18. [18] P. Hobza and R. Zahradnik, Chem. Rev. 88 (1988) 871.
19. [19] G. Chalasinsky and M. Gutowski, Chem. Rev. 88 (1988) 943.
20. [20] F.B. van Duijneveldt, J.G.C.M. van Duijneveldt-van de Rijdt and J.H. van Lenthe, Chem. Rev. 94 (1994) 1873.
21. [21] J. Vrabancich and G.L.D. Ritchie, J. Chem. Soc. Faraday Trans. II 76 (1980) 648.
22. [22] H.J. Werner, unpublished results (1994).
23. [23] H. Krause and H.J. Neusser, J. Chem. Phys. 99 (1993) 6278.
24. [24] K.H. Fung, W.E. Henke, T.R. Hays, H.L. Selzle and E.W. Schlag, J. Phys. Chem. 85 (1981) 3560.
25. [25] R. Sussmann, R. Neuhauser and H.J. Neusser, J. Chem. Phys. 103 (1995) 3315.
26. [26] J.A. Menapace and E.R. Bernstein, J. Am. Chem. Soc. 91 (1987) 2533.
27. [27] M. Schmidt, J. Le Calve and M. Mons, J. Chem. Phys. 98 (1993) 6102.
28. [28] H.L. Selzle and E.W. Schlag, in: Reaction dynamics in clusters and condensed phases, eds. J. Jortner and R.D. Levine (Kluwer, Dordrecht, 1994) p. 115.
29. [29] J.H. Callomon, T.M. Dunn and I.M. Mills, Phil. Trans. Roy. Soc. London Ser. A 259 (1966) 499.