New ab initio potential energy surface for the (HOCO+-He) van der Waals complex

Journal of Chemical Physics

Volumn 121, Issue 3, 2004, Pages 1325-1330

  Hammami, K ^a   Jaidane, N ^a   Lakhdar, Z Ben ^a   Spielfiedel, A ^b   Feautrier, N ^b  

^a UNIVERSITY OF TUNIS EL MANAR   (Tunisia)

^b OBSERVATOIRE DE PARIS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; FREQUENCIES; FUNCTIONS; GROUND STATE; HARMONIC ANALYSIS; HELIUM; ISOMERS; POLARIZATION; SPECTROSCOPIC ANALYSIS; VAN DER WAALS FORCES;

COUPLED ELECTRON PAIR APPROXIMATION (CEPA); MOLECULAR IONS; POTENTIAL ENERGY SURFACES (PES); VAN DER WAALS COMPLEXES;

POTENTIAL ENERGY;

EID: 3242882074     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1756864     Document Type: Article

References (46)

1. H. Niki, E. E. Daby, and B. Weinstock, Adv. Chem. Ser. 113, 16 (1972).
2. P. M. Banks and G. Kockarts, Aeronomy (Academic, New York, 1973), p. 362.
3. G. Paraskevopoulos and R. S. Irwin, J. Chem. Phys. 80, 259 (1984).
4. I. W. M. Smith and R. Zellner, J. Chem. Soc., Faraday Trans. 2 69, 1617 (1973).
5. I. W. M. Smith, Chem. Phys. Lett. 49, 112 (1977).
6. M. J. Frost, P. Sharkey, and I. W. M. Smith, Faraday Discuss. Chem. Soc. 91, 305 (1991).
7. P. A. Lehman and R. S. Berry, Annu. Rev. Phys. Chem. 22, 47 (1971).
8. P. J. Grutzen and P. H. Zimmermann, Tellus 43A/B, 136 (1991).
9. E. Herbst and W. Klemperer, Astrophys. J. 185, 505 (1973).
10. E. Herbst, S. Green, P. Thaddeus, and W. Klemperer, Astrophys. J. 215, 503 (1977).
11. W. Fock and T. McAllister, Astrophys. J. 257, L99 (1982).
12. A. P. C. Mann and D. A. Williams, Nature (London) 283, 721 (1980); B. E. Turner, J. Mol. Evol. 15, 79 (1980).
13. A. P. C. Mann and D. A. Williams, Nature (London) 283, 721 (1980); B. E. Turner, J. Mol. Evol. 15, 79 (1980).
14. H. Budzikiewicz, C. Djerassi, and D. H. Williams, Mass Spectrometry of Organic Compounds (Holden-Day, San Francisco, 1967), Chap. 5.
15. J. A. Burt, J. L. Dunn, M. J. Mc Ewan, M. M. Sutton, A. E. Roche, and H. I. Schiff, J. Chem. Phys. 52, 6062 (1970).
16. N. G. Adams, D. Smith, M. Tichy, G. Javahery, N. D. Twiddy, and E. E. Ferguson, J. Chem. Phys. 91, 4037 (1989).
17. P. Thaddeus, M. Guélin, and R. A. Linke, Astrophys. J. 246, L41 (1981).
18. T. Amano and K. Tanaka, J. Chem. Phys. 83, 3721 (1985).
19. T. Amano and K. Tanaka, J. Chem. Phys. 82, 1045 (1985).
20. M. M. Bursey, D. J. Harvan, C. E. Parker, L. G. Pedersen, and J. R. Hass, J. Am. Chem. Soc. 101, 5489 (1979).
21. P. C. Burgers, A. A. Mommers, and J. L. Holmes, J. Am. Chem. Soc. 105, 5976 (1983); P. C. Burgers, J. L. Holmes, and J. E. Szulejko, Int. J. Mass Spectrom. Ion Processes 57, 159 (1984).
22. P. C. Burgers, A. A. Mommers, and J. L. Holmes, J. Am. Chem. Soc. 105, 5976 (1983); P. C. Burgers, J. L. Holmes, and J. E. Szulejko, Int. J. Mass Spectrom. Ion Processes 57, 159 (1984).
23. M. Bogey, C. Demuynck, and J. L. Destombes, Astron. Astrophys. 138, L11 (1984); M. Bogey, C. Demuynck, and J. L. Destombes, J. Chem. Phys. 84, 10 (1986).
24. M. Bogey, C. Demuynck, and J. L. Destombes, Astron. Astrophys. 138, L11 (1984); M. Bogey, C. Demuynck, and J. L. Destombes, J. Chem. Phys. 84, 10 (1986).
25. U. Seeger, R. Seeger, J. A. Pople and, and P. von R. Schleyer, Chem. Phys. Lett. 55, 399 (1978).
26. D. J. DeFrees, G. H. Loew, and A. D. McLean, Astrophys. J. 254, 405 (1982).
27. M. J. Frisch, H. F. Schaefer, and J. S. Binkley, J. Phys. Chem. 89, 2192 (1985).
28. J. G. Yu, X. Y. Fu, R. Z. Liu, K. Yamashita, N. Koga, and K. Morokuma, Chem. Phys. Lett. 125, 438 (1986).
29. A. Komornicki and D. A. Dixon, J. Chem. Phys. 97, 1087 (1992).
30. J. S. Francisco, J. Chem. Phys. 107, 9039 (1997).
31. M. E. Jacox and W. E. Thompson, J. Chem. Phys. 119, 10824 (2003).
32. W. Meyer, Int. J. Quantum Chem., Symp. 5, 341 (1971).
33. W. Meyer, J. Chem. Phys. 58, 1017 (1973).
34. W. Meyer, Theor. Chim. Acta 35, 277 (1974).
35. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
36. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
37. D. E. Woon and T. H. Dunning, Jr., J. Chem. Phys. 98, 1358 (1993).
38. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
39. A. Degli Esposti and H.-J. Werner, J. Chem. Phys. 93, 3351 (1990).
40. MOLPRO is a package of ab initio programs written by: H.-J. Werner and P. J. Knowles, with contributions from J. Almöf, R. D. Amos, M. J. Deegan, et al.; H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. 69, 1 (1987).
41. MOLPRO is a package of ab initio programs written by: H.-J. Werner and P. J. Knowles, with contributions from J. Almöf, R. D. Amos, M. J. Deegan, et al.; H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. 69, 1 (1987).
42. MOLPRO is a package of ab initio programs written by: H.-J. Werner and P. J. Knowles, with contributions from J. Almöf, R. D. Amos, M. J. Deegan, et al.; H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. 69, 1 (1987).
43. MOLPRO is a package of ab initio programs written by: H.-J. Werner and P. J. Knowles, with contributions from J. Almöf, R. D. Amos, M. J. Deegan, et al.; H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. 69, 1 (1987).
44. MOLPRO is a package of ab initio programs written by: H.-J. Werner and P. J. Knowles, with contributions from J. Almöf, R. D. Amos, M. J. Deegan, et al.; H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988); P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988); H.-J. Werner and E. A. Reinsch, J. Chem. Phys. 76, 3144 (1982); H.-J. Werner, Adv. Chem. Phys. 69, 1 (1987).
45. O. Dopfer, R. V. Olkhov, D. Roth, and J. P. Maier, Chem. Phys. Lett. 296, 586 (1998).
46. A. D. Buckingham, Adv. Chem. Phys. 12, 107 (1967).