The asymmetric dimer N2-O2: Characterization of the potential energy surface and quantum mechanical calculation of rotovibrational levels

Journal of Chemical Physics

Volumn 118, Issue 5, 2003, Pages 2214-2222

  Aquilanti, V ^a   Bartolomei, M ^a,b   Carmona Novillo, E ^a   Pirani, F ^a,b  

^a UNIVERSITY OF PERUGIA   (Italy)

^b INFM   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

BOUNDARY CONDITIONS; CHEMICAL BONDS; CONFORMATIONS; DIMERS; HAMILTONIANS; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; NUMERICAL ANALYSIS; POTENTIAL ENERGY; SCATTERING; SPECTROSCOPIC ANALYSIS;

POTENTIAL ENERGY SURFACE; QUANTUM MECHANICAL CALCULATION; ROTOVIBRATIONAL LEVELS;

QUANTUM THEORY;

EID: 0037323950     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1533015     Document Type: Article

References (30)

1. -1 (rather than 29.87).
2. V. Aquilanti, E. Carmona-Novillo, and F. Pirani, Phys. Chem. Chem. Phys. 4, 4970 (2002).
3. B. Brunetti, G. Liuti, E. Luzzatti, F. Pirani, and F. Vecchiocattivi, J. Chem. Phys. 74, 6734 (1981).
4. J. M. Hutson, Bound, Computer Code, Version 5, distributed by Collaborative Computational Project no. 6 of the Science and Engineering Research Council (UK), 1993.
5. J. Tennyson and A. van der Avoird, J. Chem. Phys. 77, 5664 (1982).
6. D. Cappelletti, F. Vecchiocattivi, F. Pirani, E. L. Heck, and A. S. Dickinson, Mol. Phys. 93, 485 (1998).
7. V. Aquilanti, D. Ascenzi, M. Bartolomei, D. Cappelletti, S. Cavalli, M. de Castro-Vítores, and F. Pirani, J. Am. Chem. Soc. 121, 10794 (1999)
8. V. Aquilanti, D. Ascenzi, M. Bartolomei, D. Cappelletti, S. Cavalli, M. de Castro-Vítores, and F. Pirani, Phys. Rev. Lett. 82, 69 (1999).
9. D. E. Stogryn and A. P. Stogryn, Mol. Phys. 11, 371 (1966).
10. F. Pirani, F. Vecchiocattivi, J. J. H. van den Biesen, and C. J. N. van den Meijdenberg, J. Chem. Phys. 75, 1042 (1981).
11. F. Pirani and F. Vecchiocattivi, Mol. Phys. 45, 1003 (1982).
12. R. Candori, F. Pirani, and F. Vecchiocattivi, Chem. Phys. Lett. 102, 412 (1983).
13. L. Beneventi, P. Casavecchia, G.G. Volpi, C.C.K. Wong, and F.R.W. McCourt, J. Chem. Phys. 98, 7926 (1993).
14. J.O. Hirschfelder, C.F. Curtiss, and R.B. Bird, Molecular Theory of Gases and Liquids (Wiley, New York, 1954).
15. K. G. Denbigh, Trans. Faraday Soc. 33, 436 (1940).
16. H. Schumacher, R. B. Bernstein, and E. W. Rothe, J. Chem. Phys. 33, 584 (1960).
17. K. Fostiropoulos, G. Natour, J. Sommer, and B. Schramm, Ber. Bunsenges. Phys. Chem. 92, 925 (1988).
18. J. H. Dymond and E. B. Smith, The Virial Coefficients of Pure Gases and Mixtures: A Critical Compilation (Clarendon, Oxford, 1980).
19. R. T Pack, J. Chem. Phys. 78, 7217 (1983).
20. J. M. Hutson, Comput. Phys. Commun. 84, 1 (1994).
21. S. Green, J. Chem. Phys. 62, 2271 (1975).
22. T. G. Heil, S. Green, and D. I. Kouri, J. Chem. Phys. 68, 2562 (1978).
23. P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, 2nd ed. (NRC Research, Ottawa, 1998).
24. B. Bussery-Honvault and V. Veyret, Phys. Chem. Chem. Phys. 1, 3387 (1999).
25. A. Metropoulos and Y.-N. Chiu, J. Chem. Phys. 68, 5607 (1977).
26. V. Aquilanti, M. Bartolomei, D. Cappelletti, E. Carmona-Novillo, and F. Pirani, Phys. Chem. Chem. Phys. 3, 3891 (2001).
27. The potential energy surfaces for the three systems, as well as additional information, can be found on the website http://bong.chm.unipg.it/
28. V. Aquilanti, M. Bartolomei, D. Cappelletti, E. Carmona-Novillo, M. Moix-Teixidor, M. Sabidò, and F. Pirani, in Unconventional Atmospheric Absorbers, edited by C. Camy-Peyret and A. Vigasin (Kluwer, Dordrecht, 2003).
29. V. Aquilanti, D. Cappelleti, and F. Pirani, Chem. Phys. 209, 299 (1996).
30. A.D. Buckingham, Adv. Chem. Phys. 12, 107 (1967).