The effect of two- and three-body interactions in ArnCO2 (n=1,2) on the asymmetric stretching CO2 coordinate: An ab initio study

Journal of Chemical Physics

Volumn 106, Issue 24, 1997, Pages 10215-10221

  Rak, Janusz ^a,d   Szczesniak M M ^a   Chałasiński, Grzegorz ^b   Cybulski, Sławomir M ^c  

^a OAKLAND UNIVERSITY   (United States)

^b UNIVERSITY OF WARSAW   (Poland)

^c MIAMI UNIVERSITY   (United States)

^d UNIVERSITY OF GDA SK   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001115715     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.474105     Document Type: Article

References (39)

1. W. J. Meath and M. Koulis, J. Mol. Struct. (Theochem) 226, 1 (1991).
2. M. J. Elrod and R. J. Saykally, Chem. Rev. 94, 1975 (1994).
3. M. A. Suhm and D. J. Nesbitt, Chem. Soc. Rev. 24, 45 (1995).
4. P. Piecuch, in Molecules in Physics, Chemistry and Biology, edited by J. Maruani (Kluwer, Dordrecht, 1988).
5. M. M. Szczȩśniak and G. Chałasiński, J. Mol. Structure (Theochem) 261, 37 (1992).
6. G. Chałasiński and M. M. Szczȩśniak, Chem. Rev. 94, 1723 (1994).
7. M. M. Szczȩśniak and G. Chałasiński, in Molecular Interactions: From van der Waals to Strongly Bound Complexes, edited by S. Scheiner (Wiley, Chichester, 1997).
8. A. R. Cooper, S. Jain, and J. M. Hutson, J. Chem. Phys. 98, 2160 (1993).
9. A. R. Cooper and J. M. Hutson (1993) J. Chem. Phys. 98, 5337.
10. A. Ernesti and J. M. Hutson, Phys. Rev. A 51, 239 (1995).
11. A. Ernesti and J. M. Hutson, Faraday Discuss. 97, 119 (1994).
12. M. J. Elrod, R. J. Saykally, A. M. Cooper, and J. M. Hutson, Mol. Phys. 81, 579 (1994).
13. M. M. Szczȩśniak, G. Chałasiński, and P. Piecuch, J. Chem. Phys. 99, 6732 (1993).
14. S. M. Cybulski, M. M. Szczçśniak, and G. Chałasiński, J. Chem. Phys. 101, 10708 (1994).
15. J. M. Sperhac, M. J. Weida, and D. J. Nesbitt, J. Chem. Phys. 104, 2202 (1996).
16. P. J. Marshall, M. M. Szczesniak, J. Sadlej, G. Chalasinski, M. A. ter Horst, and C. J. Jameson, J. Chem. Phys. 104, 6569 (1996).
17. J. M. Hutson, A. Ernesti, M. M. Law, C. F. Roche, and R. J. Wheatley, J. Chem. Phys. 105, 9130 (1996).
18. C. F. Roche, A. Ernesti, J. M. Hutson, and A. S. Dickinson, J. Chem. Phys. 104, 2156 (1996).
19. G. Chałasiński, and M. M. Szczȩśniak, Mol. Phys. 63, 205 (1988).
20. S. M. Cybulski, G. Chałasiński, and R. Moszyński, J. Chem. Phys. 92, 4357 (1990).
21. K. Szalewicz and B. Jeziorski, Mol. Phys. 38, 191 (1979).
22. B. Jeziorski, R. Moszyński, and K. Szalewicz, Chem. Rev. 94, 1887 (1994).
23. M. J. Frisch, G. W. Trucks, M. Head-Gordon, P. M. W. Gill, M. W. Wong, J. B. Foresman, B. G. Johnson, H. B. Schlegel, M. A. Robb, E. S. Replogle, R. Gomperts, J. L. Andres, K. Raghavachari, J. S. Binkley, C. Gonzalez, R. L. Martin, D. J. Fox, D. J. Defrees, J. Baker, J. J. P. Stewart, and J. A. Pople, GAUSSIAN 92, Gaussian, Inc., Pittsburgh PA, 1992.
24. S. M. Cybulski, Trur194 package, Rochester, Michigan, 1994.
25. A. J. Sadlej, Coll. Czech. Chem. Commun. 53, 1995 (1988).
26. G. Chałasiński, D. J. Funk, J. Simons, and W. H. Breckenridge, J. Chem. Phys. 87, 3569 (1987). (Regrettably there are two misprints in this paper; the exponents of d-symmetry orbitals should be 0.84 and 0.174, and that of f-symmetry orbital, 0.23).
27. R. F. W. Bader, Atoms in Molecules (Clarendon, Oxford, 1990).
28. H. Hettema, P. E. S. Wormer, and A. J. Thakkar, Mol. Phys. 80, 533 (1993).
29. S. M. Cybulski, J. Chem. Phys. 96, 8225 (1992).
30. P. Piecuch, Int. J. Quantum Chem. 47, 261 (1993).
31. A. J. Stone, Chem. Phys. Lett. 83, 233 (1981).
32. D. E. Stogryn, Phys. Rev. Lett. 24, 971 (1970).
33. S. A. C. McDowell, A. Kumar, and W. J. Meath, Mol. Phys. 87, 845 (1996).
34. J. G. C. M. van Duijneveldt-van de Rijdt, and F. B. van Duijneveldt, Chem. Phys. 175, 271 (1993).
35. C. Bissonnette, K. G. Crowell, R. J. Le Roy, R. J. Wheatley, and W. J. Meath, J. Chem. Phys. 105, 2639 (1996).
36. R. J. Bartlett and J. F. Stanton, in Reviews of Computational Chemistry, edited by K. B. Lipkowitz and D. B. Boyd (VCH, New York, 1994), Vol. 5, pp. 65-169.
37. A. van der Avoird, P. E. S. Wormer, and R. Moszyński, Chem. Rev. 94, 1931 (1994).
38. S. Liu, Z. Bacic, J. W. Moskowitz, and K. E. Schmidt, J. Chem. Phys. 101, 10,181 (1994).
39. M. Lewerenz, J. Chem. Phys. 104, 1028 (1996).