New molecular species of potential interest to atmospheric chemistry: Isomers on the [H, S2, Br] potential energy surface

Journal of Physical Chemistry A

Volumn 113, Issue 7, 2009, Pages 1397-1402

  De Oliveira Filho, Antonio Gustavo S ^a   Aoto, Yuri Alexandre ^a   Ornellas, Fernando R ^a  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BROMINE ATOMS; CCSD; COMPLETE BASIS SET LIMITS; COMPLEX SYSTEMS; COUPLED-CLUSTER SINGLES AND DOUBLES; DISULFIDE BONDS; DISULFIDE BRIDGES; GEOMETRICAL PARAMETERS; GLOBAL MINIMUM; HIGH CONCENTRATIONS; INTERCONVERSION; MOLECULAR SPECIES; THEORETICAL APPROACHES; TRANSITION STATE; VIBRATIONAL FREQUENCIES; VOLCANIC ERUPTIONS;

APPROXIMATION THEORY; ATMOSPHERIC CHEMISTRY; BROMINE; CONTEXT SENSITIVE GRAMMARS; ELECTRIC CIRCUIT BREAKERS; HYDROGEN; ISOMERS; POLYSULFIDES; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; SULFUR; VOLCANOES;

POTENTIAL ENERGY;

EID: 63849083694     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp8079793     Document Type: Article

References (35)

1. Wennberg, P. O.; Cohen, R. C.; Stimpfle, R. M.; Koplow, J. P.; Anderson, J. G.; Salawitch, R. J.; Woodbridge, D. W.; Keim, E. R.; Gao, R. S.; Podolske, C. R.; Chan, K. R.; Wofsy, S. C. Science 1994, 266, 398.
2. Brune, W. H.; Anderson, J. G.; Toohey, D. W.; Fahey, D. W.; Kawa, S. R.; Jones, R. L.; McKenna, D. S.; Poole, L. S. Science 1991. 252, 1260.
3. Anderson, J. G.; Toohey, D. W.; Brune, W. H. Science 1991, 251, 39.
4. Bogan, D. J.; Thorn, R. P.; Nesbitt, F. L.; Stief, L. J. J. Phys. Chem. 1996, 100, 14383.
5. Francisco, J. S.; Sander, S. P.; Lee, T. J.; Rendell, A. P. J. Phys. Chem. 1994, 98, 5664.
6. Sumathi, R.; Peyerimhoff, S. D. J. Phys. Chem. A 1999, 103, 7515.
7. Guha, S.; Francisco, J. S. Chem. Phys. 1999, 247, 387.
8. Guha, S.; Francisco, J. S. Chem. Phys. Lett. 2000, 319, 650.
9. Ornellas, F. R. J. Chem. Phys. 2007, 126, 204314.
10. Aoto, Y. A.; Ornellas, F. R. J. Phys. Chem. A 2007, 111, 521.
11. Machado, F. B. C.; Resende, S. M.; Ornellas, F. R. Mol. Phys. 2002, 100, 699.
12. Ornellas, F. R. Theor. Chem. Acc. 2000, 103, 469.
13. Ornellas, F. R.; Resende, S. M. J. Phys. B: At., Mol. Opt. Phys. 2000, 33, L383.
14. Hermoso, W.; Ornellas, F. R. Chem. Phys. Lett. 2008, 459, 77.
15. Resende, S. M.; Ornellas, F. R. Chem. Phys. Lett. 2000, 318, 340.
16. Resende, S. M.; Ornellas, F. R. J. Phys. Chem. A 2000, 104, 11934.
17. Zeng, Y.; Li, X.; Zhang, X.; Zheng, S.; Meng, L. J. Mol. Struct. (THEOCHEM) 2008, 851, 115.
18. Prascher, B. P.; Wilson, A. K. J. Mol. Struct. (THEOCHEM) 2007, 814,1.
19. Ornellas, F. R. Chem. Phys. Lett. 2007, 448, 24.
20. Ornellas, F. R. Chem. Phys. 2008, 334, 95.
21. Becke, A. J. Chem. Phys. 1993, 98, 5648.
22. Lee, C.; Yang, W.; Parr, R. G. Phys. Rev.B 1988, 37, 785.
23. Møller, C.; Plesset, M. S. Phys. Rev. 1934, 46, 618.
24. Hampel, C.; Peterson, K. A.; Werner, H.-J. Chem. Phys. Lett. 1992, 190,1.
25. Watts, J. D.; Gauss, J.; Barlett, R. J. J. Chem. Phys. 1993, 98, 8718.
26. Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 1993, 99, 5219.
27. Knowles, P. J.; Hampel, C.; Werner, H.-J. J. Chem. Phys. 2000, 112, 3106.
28. Kendall, R. A.; Dunning, T. H., Jr.; Harrison, R. J. J. Chem. Phys. 1992, 96, 6796.
29. Dunning, T. H., Jr.; Peterson, K. A.; Wilson, A. K. J. Chem. Phys. 2001, 114, 9244.
30. Peterson, K. A.; Woon, D. E.; Dunning, T. H., Jr. J. Chem. Phys. 1994, 100, 7410.
31. Werner, H.-J.; Knowles, P. J.; Lindh, R.; Manby, F. R.; Schütz, M.; Celani, P.; Korona, T.; Rauhut, G.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Hetzer, G.; Lloyd, A. W.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pitzer, R.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T.; MOLPRO, version 2006.1, a Package of Ab Initio Programs.
32. Benson, S. W. Chem. Rev. 1978, 78, 23.
33. Winnewisser, G.; Winnewisser, M.; Gordy, W. J. Chem. Phys. 1968, 49, 3465.
34. Huber, K. P.; Herzberg, G. Molecular Spectra and Molecular Structure. Constants of Diatomic Molecules; Van Nostrand Reinhold: New York, 1979.
35. Ornellas, F. R. J. Chem. Phys. 2006, 125, 114314.