The intermolecular potential of O2-O2 in its quintet state: An ab initio study

Chemical Physics Letters

Volumn 414, Issue 1-3, 2005, Pages 11-16

  Hernández Lamoneda, Ramón ^a   Hernández, Marta I ^b   Campos Martínez, José ^b  

^a CENTRO DE INVESTIGACIONES QUÍMICAS   (Mexico)

^b INSTITUTO DE MATEMÁTICAS Y FÍSICA FUNDAMENTAL   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ANISOTROPY; BINDING ENERGY; DIMERS;

INTERMOLECULAR POTENTIAL; MOLECULAR OXYGEN DIMERS;

OXYGEN;

EID: 28844445174     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2005.08.022     Document Type: Article

References (28)

1. Chem. Rev. 100, No. 11 is devoted entirely to this topic.
2. G. Chałasiński, and M. Szczȩśniak Chem. Rev. 100 2000 4227 and references therein
3. T.G. Slanger, and R.A. Copeland Chem. Rev. 103 2003 4731 and references therein
4. I.O. Antonov, V.N. Azyazov, and N.I. Ufimtsev J. Chem. Phys. 119 2003 10638
5. F.A. Gorelli, L. Ulivi, M. Santoro, and R. Bini Phys. Rev. Lett. 83 1999 4093 and references therein
6. L. Biennier, D. Romanini, A. Kachanov, A. Campargue, B. Bussery-Honvault, and R. Bacis J. Chem. Phys. 112 2000 6309
7. B. Bussery, and P.E.S. Wormer J. Chem. Phys. 99 1993 1230
8. A. Aquilanti, D. Ascenzi, M. Bartolomei, D. Cappelletti, S. Cavalli, M. de Castro-Vitores, and F. Pirani Phys. Rev. Lett. 82 1999 69
9. A. Aquilanti, D. Ascenzi, M. Bartolomei, D. Cappelletti, S. Cavalli, M. de Castro-Vitores, and F. Pirani J. Am. Chem. Soc. 121 1999 10794
10. R. Hernández, R. Toumi, and D.C. Clary J. Chem. Phys. 102 1995 9544
11. J. Campos-Martínez, E. Carmona-Novillo, J. Echave, M.I. Hernández, R. Hernández-Lamoneda, and J. Palma Chem. Phys. Lett. 289 1998 150
12. F. Dayou, J. Campos-Martínez, M.I. Hernández, and R. Hernández-Lamoneda J. Chem. Phys. 120 2004 10355
13. F. Dayou, M. Bartolomei, J. Campos-Martínez, M.I. Hernández, and R. Hernández-Lamoneda Mol. Phys. 102 2004 2323
14. R. Hernández-Lamoneda, M.I. Hernández, and J. Campos-Martínez Chem. Phys. Lett. 368 2003 709
15. R. Hernández-Lamoneda, and A. Ramírez-Solís J. Chem. Phys. 113 2000 4139
16. P.O. Widmark, P.A. Malmqvist, and B.O. Roos Theor. Chim. Acta 77 1990 291
17. J.D. Watts, J. Gauss, and R.J. Bartlett J. Chem. Phys. 98 1993 8718
18. G. Chałasiński, and M. Szczȩśniak Chem. Rev. 94 1994 1723 and references therein
19. F.-M. Tao, and Y.-K. Pan J. Chem. Phys. 97 1992 4989
20. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
21. J.H. van Lenthe, J.G.C.M. van Duijneveldt-van de Rijdt, and F.B. van Duijneveldt Adv. Chem. Phys. 69 1987 521
22. Molpro-2002.3 is a package of ab initio programs written by H.J. Werner and P.J. Knowles with contributions from R.D. Amos, A. Bernhardsson, A. Berning, P. Celani, D.L. Cooper, M.J.O. Deegan, A.J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, T. Korona, R. Lindh, A.W. Lloyd, S.J. McNicholas, F.R. Manby, W. Meyer, M.E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schutz, U. Schumann, H. Stoll, A.J. Stone, R. Tarroni, T. Thorsteinsson and T. Leininger.
23. P.E.S. Wormer, and A. van der Avoird J. Chem. Phys. 81 1984 1929
24. R. Cambi, D. Cappelletti, G. Luiti, and F. Pirani J. Chem. Phys. 95 1991 1852
25. G.C. McBane, and S.M. Cybulski J. Chem. Phys. 110 1999 11734
26. J. Kłos, G. Chałasiński, M.T. Berry, R.A. Kendall, R. Burcl, M. Szczȩoniak, and S.M. Cybulski J. Chem. Phys. 112 2000 4952
27. M. Rode, J. Sadlej, R. Moszynski, P.E.S. Wormer, and A. van der Avoird Chem. Phys. Lett. 314 1999 326
28. D.J. Margoliash, and W.J. Meath J. Chem. Phys. 68 1978 1426