Four-mode quantum calculations of resonance states in complex-forming bimolecular reactions: Cl - +CH 3Br

Journal of Chemical Physics

Volumn 122, Issue 23, 2005, Pages

  Schmatz, Stefan ^a  

^a UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BIOMOLECULAR REACTIONS; FESHBACH-TYPE RESONANCE; ION-DIPOLE INTERACTIONS; QUANTUM NUMBER;

COMPLEXATION; COUPLINGS; HAMILTONIANS; POTENTIAL ENERGY; RESONANCE; STRETCHING; VIBRATIONS (MECHANICAL);

QUANTUM THEORY;

EID: 23344434469     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1924406     Document Type: Article

References (60)

1. W. L. Hase, Science 266, 998 (1994).
2. M. L. Chabinyc, S. L. Craig, C. K. Regan, and J. I. Brauman, Science 279, 1882 (1998).
3. J. K. Laerdahl and E. Uggerud, Int. J. Mass. Spectrom. 214, 277 (2002).
4. S. Schmatz, ChemPhysChem 5, 600 (2004).
5. M. L. Hernández, J. Campos-Martinez, P. Villarreal, S. Schmatz, and D. C. Clary, Phys. Chem. Chem. Phys. 1, 1197 (1999).
6. S. R. Vande Linde and W. L. Hase, J. Phys. Chem. 94, 2778 (1990).
7. S. Schmatz, P. Botschwina, J. Hauschildt, and R. Schinke, J. Chem. Phys. 114, 5233 (2001).
8. J. Hauschildt, R. Schinke, S. Schmatz, and P. Botschwina, Phys. Chem. Chem. Phys. 3, 2275 (2001).
9. D. Neuhauser, J. Chem. Phys. 93, 2611 (1990).
10. M. R. Wall and D. Neuhauser, J. Chem. Phys. 102, 8011 (1995).
11. S. Schmatz and J. Hauschildt, J. Chem. Phys. 118, 4499 (2003).
12. A. A. Viggiano, R. A. Morris, J. S. Paschkewitz, and J. F. Paulson, J. Am. Chem. Soc. 114, 10477 (1992).
13. S. Schmatz, Chem. Phys. Lett. 330, 188 (2000).
14. S. T. Graul and M. T. Bowers, J. Am. Chem. Soc. 113, 9696 (1991).
15. S. T. Graul and M. T. Bowers, J. Am. Chem. Soc. 116, 3875 (1994).
16. L. A. Angel and K. M. Ervin, J. Am. Chem. Soc. 125, 1014 (2003).
17. P. Ayotte, J. Kim, J. A. Kelley, S. B. Nielsen, and M. A. Johnson, J. Am. Chem. Soc. 121, 6950 (1999).
18. P. Ayotte, G. H. Weddle, J. Kim, and M. A. Johnson, Chem. Phys. 239, 485 (1998).
19. H. Wang, G. H. Peslherbe, and W. L. Hase, J. Am. Chem. Soc. 116, 9644 (1994).
20. H. Wang and W. L. Hase, J. Am. Chem. Soc. 118, 2257 (1996).
21. H. Wang, E. M. Goldfield, and W. L. Hase, J. Chem. Soc., Faraday Trans. 93, 737 (1997).
22. J. L. Le Garrec, B. R. Rowe, J. L. Queffelec, J. B. A. Mitchell, and D. C. Clary, J. Chem. Phys. 107, 1021 (1997).
23. S. Schmatz and D. C. Clary, J. Chem. Phys. 110, 9483 (1999).
24. S. Schmatz, P. Botschwina, J. Hauschildt, and R. Schinke, J. Chem. Phys. 117, 9710 (2002).
25. S. Schmatz, P. Botschwina, and H. Stoll, Int. J. Mass. Spectrom. 201, 277 (2000).
26. C. Hennig and S. Schmatz, J. Chem. Phys. 122, XX43XX (2005) (following paper).
27. See EPAPS Document No. E-JCPSA6-122-009523 for electronic files that contain full versions of Tables. This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).
28. R. Radau, Ann. Sci. Ec. Normale Super. 5, 311 (1868).
29. B. R. Johnson and W. P. Reinhardt, J. Chem. Phys. 85, 4538 (1986).
30. Y. Huang, W. Zhu, D. J. Kouri, and D. K. Hoffman, Chem. Phys. Lett. 206, 96 (1993).
31. T. P. Grozdanov, V. A. Mandelshtam, and H. S. Taylor, J. Chem. Phys. 103, 7990 (1995).
32. V. A. Mandelshtam, T. P. Grozdanov, and H. S. Taylor, J. Chem. Phys. 103, 10074 (1995).
33. J. G. Muga, J. P. Palao, B. Navarro, and I. L. Egusquiza, Phys. Rep. 395, 357 (2004).
34. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 102, 7390 (1995).
35. V. A. Mandelshtam and H. S. Taylor, J. Chem. Phys. 103, 2903 (1995).
36. K. Raghavachari, G. W. Trucks, J. A. Pople, and M. Head-Gordon, Chem. Phys. Lett. 157, 479 (1989).
37. MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from R. D. Amos
38. C. Hampel, K. A. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992).
39. M. J. O. Deegan and P. J. Knowles, Chem. Phys. Lett. 227, 321 (1994).
40. J. T. Muckerman, Chem. Phys. Lett. 173, 200 (1990).
41. J. Echave and D. C. Clary, Chem. Phys. Lett. 190, 225 (1992).
42. E. M. Goldfield, S. K. Gray, and G. C. Schatz, J. Chem. Phys. 102, 8807 (1995).
43. D. H. Zhang and J. H. Zhang, J. Chem. Phys. 103, 6512 (1995).
44. F. N. Dzegilenko and J. M. Bowman, J. Chem. Phys. 105, 2280 (1996).
45. M. I. Lester, B. V. Pond, M. D. Marshall, D. T. Anderson, L. B. Harding, and A. F. Wagner, Faraday Discuss. 118, 373 (2001).
46. H. G. Yu and J. T. Muckerman, J. Chem. Phys. 117, 11139 (2002).
47. R. Valero, D. A. McCormack, and G.-J. Kroes, J. Chem. Phys. 120, 4263 (2004).
48. J. Bowman, J. Chem. Phys. 99, 308 (1993).
49. S. Schmatz and M. Mladenović, J. Chem. Phys. 109, 4456 (1998).
50. P. Botschwina, J. Chem. Soc., Faraday Trans. 2 84, 1263 (1988).
51. P. Botschwina, in Ion and Cluster Ion Spectroscopy and Structure, edited by, J. P. Maier, (Elsevier, Amsterdam, 1989), p. 59.
52. J. L. Duncan and M. M. Law, J. Mol. Spectrosc. 140, 13 (1990).
53. R. Lakanen, M. Koivusaari, V.-M. Horneman, and J. Kauppinen, J. Mol. Spectrosc. 135, 188 (1989).
54. G. Herzberg, Molecular Spectra and Molecular Structure. II. Infrared and Raman Spectra of Polyatomic Molecules (Van Nostrand Reinhold, New York, 1945).
55. H.-M. Keller, H. Floethmann, A. J. Dobbyn, R. Schinke, H.-J. Werner, C. Bauer, and P. Rosmus, J. Chem. Phys. 105, 4983 (1996).
56. H.-M. Keller, M. Stumpf, T. Schröder, J. Chem. Phys. 106, 5359 (1997).
57. U. Brandt-Pollmann, J. Weiß, and R. Schinke, J. Chem. Phys. 115, 8876 (2001).
58. F. N. Dzegilenko and J. M. Bowman, J. Chem. Phys. 108, 511 (1998).
59. D. C. Clary and J. Palma, J. Chem. Phys. 106, 575 (1997).
60. H. G. Yu and G. Nyman, Chem. Phys. Lett. 312, 585 (1999).