Double many-body expansion potential energy surface for ground state HSO2

Physical Chemistry Chemical Physics

Volumn 7, Issue 11, 2005, Pages 2305-2317

  Ballester, M Y ^a   Varandas, A J C ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROGEN; SULFUR; SULFUR DIOXIDE;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ENVIRONMENTAL MONITORING; METHODOLOGY; PHYSICAL CHEMISTRY; STATIC ELECTRICITY; STATISTICAL MODEL;

CHEMISTRY, PHYSICAL; ENVIRONMENTAL MONITORING; HYDROGEN; MODELS, CHEMICAL; MODELS, STATISTICAL; MOLECULAR CONFORMATION; STATIC ELECTRICITY; SULFUR; SULFUR DIOXIDE;

EID: 20744441976     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b500990a     Document Type: Article

References (48)

1. R. P. Wayne, Chemistry of Atmosphere, Oxford University Press, 3rd edn., 2000.
2. C. A. M. Dowell, F. G. Herring and J. C. Tait, J. Chem. Phys., 1975, 63, 3278.
3. P. Binns and P. Marshall, J. Phys. Chem., 1991, A 95, 4940.
4. V. R. Morris and W. M. Jackson, Chem. Phys. Lett., 1994, 223, 445.
5. D. Laakso, C. E. Smith, A. Goumri, J. D. R. Rocha and P. Marshall, Chem. Phys. Lett., 1994, 227, 377.
6. A. Goumri, J. D. R. Rocha and P. Marshall, J. Phys. Chem., 1995, A 99, 10834.
7. A. J. Frank, M. Sadílek, J. G. Ferrier and J. Tureček, J. Am. Chem. Soc., 1996, 118, 11321.
8. J. X. Qi, W. Q. Deng, K. L. Han and G. Z. He, J. Chem. Soc., Faraday Trans., 1997, 93, 25.
9. A. J. Frank, M. Sadílek, J. G. Ferrier and J. Tureĉek, J. Am. Chem. Soc., 1997, 119, 12343.
10. A. Goumri, J. D. R. Rocha, D. Laakso, C. E. Smith and P. Marshall, J. Phys. Chem., 1999, A 103, 11328.
11. E. Isoniemi, L. Kriadchtchev, J. Lundell and M. Räsänen, J. Mol. Struct. (THEOCHEM), 2001, 563, 261.
12. E. Isoniemi, L. Kriadchtchev, J. Lundell and M. Räsänen, Phys. Chem. Chem. Phys., 2002, 4, 1549.
13. R. A. Denis and O. N. Ventura, Chem. Phys. Lett., 2001, 344, 221.
14. M. R. Zacharia and O. I. Smith, Combust. Flame, 1987, 69, 125.
15. R. A. Drurie, G. M. Jonhson and M. Y. Smith, Combust. Flame, 1971, 17, 197.
16. A. S. Kallend, Combust. Flame, 1972, 19, 227.
17. G. S. Tyndall and A. R. Ravishankara, Int. J. Chem. Kinet., 1991, 23, 483.
18. A. A. Turnipseed, S. B. Barone and A. R. Ravishankara, J. Phys. Chem., 1992, 96, 7502.
19. A. J. C. Varandas, Adv. Chem. Phys., 1988, 74, 255.
20. A. J. C. Varandas, in Lecture Notes in Chemistry, ed. A. Lagana and A. Riganelli, Springer, Berlin, 2000, vol. 75, p. 33.
21. A. J. C. Varandas, in Conical Intersections: Electronic Structure, Dynamics and Spectroscopy, ed. D. Yarkony, H. Köppel and W. Domcke, World Scientific Publishing, Singapore, 2004.
22. M. R. Pastrana, L. A. M. Quintales, J. Brandao and A. J. C. Varandas, J. Phys. Chem., 1990, 94, 8073.
23. A. J. C. Varandas and S. P. J. Rodrigues, Spectrochim. Acta, 2002, A 58, 629.
24. E. Martínez-Núñez and A. J. C. Varandas, J. Phys. Chem., 2001, A 105, 5923.
25. A. J. C. Varandas and A. A. C. C. Pais, in Theoretical and Computational Models for Organic Chemistry, ed. S. Formosinho, I. Czismadia and L. Arnaut, Kluwer, Dordrecht, 1991, p. 55.
26. A. J. C. Varandas and J. L. Llanio-Trujillo, Chem. Phys. Lett., 2002, 356, 585.
27. A. J. C. Varandas and H. G. Yu, Mol. Phys., 1997, 91, 301.
28. A. J. C. Varandas and L. Zhang, Chem. Phys. Lett., 2000, 331, 474.
29. A. J. C. Varandas and L. Zhang, Chem. Phys. Lett., 2004, 385, 409.
30. M. A. Collins, Adv. Chem. Phys., 1996, 93, 389.
31. A. J. C. Varandas and P. E. Abreu, Chem. Phys. Lett., 1998, 293, 261.
32. T. H. Dunning, J. Chem. Phys., 1989, 90, 1007.
33. R. Kendall, T. Dunning Jr. and R. Harrison, J. Chem. Phys., 1992, 96, 6769.
34. H.-J. Werner and P. J. Knowles, MOLPRO is a package of ab initio programs written by H.-J. Werner, P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. A. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor and R. Lindh, 1998.
35. J. Martin and O. Uzan, Chem. Phys. Lett., 1998, 282, 16.
36. J. Martin, Chem. Phys. Lett., 1999, 310, 271.
37. S. M. Resende and F. Ornellas, Phys. Chem. Chem. Phys., 2003, 5, 4617.
38. S. P. J. Rodrigues, J. A. Sabin and A. J. C. Varandas, J. Phys. Chem., 2002, A 106, 556.
39. A. J. C. Varandas and J. D. Silva, J. Chem. Soc., Faraday Trans., 1992, 88, 941.
40. R. J. Le Roy, Spec. Period. Rep. Chem. Soc. Mol. Spectrosc., 1973, 1, 113.
41. A. J. C. Varandas, J. Chem. Phys., 1996, 105, 3524.
42. A. J. C. Varandas and A. I. Voronin, Mol. Phys., 1995, 85, 497.
43. A. J. C. Varandas and A. I. Voronin, Chem. Phys., 1995, 194, 91.
44. P. J. S. B. Caridade and A. J. C. Varandas, unpublished work.
45. A. D. Buckingham, Adv. Chem. Phys., 1967, 12, 107.
46. J. O. Hirschfelder, C. F. Curtis and R. B. Bird, Molecular Theory of Gases and Liquids, Wiley, New York, 1954.
47. M. J. Pilling, January 2005, private communication.
48. A. J. C. Varandas, ChemPhysChem, 2002, 3, 433.