Spectroscopy, dissociation dynamics, and potential energy surfaces for CN (A) -Ar

Journal of Chemical Physics

Volumn 128, Issue 22, 2008, Pages

  Han, Jiande ^a   Heaven, Michael C ^a   Schnupf, Udo ^b  

^a EMORY UNIVERSITY   (United States)

^b NATIONAL CENTER FOR AGRICULTURAL UTILIZATION RESEARCH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ARGON; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

DISSOCIATION DYNAMICS; ENERGY SURFACES;

POTENTIAL ENERGY;

EID: 45149132774     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2936123     Document Type: Article

References (46)

1. D. H. Katayama, T. A. Miller, and V. E. Bondybey, J. Chem. Phys. 71, 1662 (1979).
2. A. Ali, J. Guo, and P. J. Dagdigian, Chem. Phys. Lett. 131, 331 (1986).
3. N. Furio, A. Ali, and P. J. Dagdigian, Chem. Phys. Lett. 125, 561 (1986).
4. N. Furio, A. Ali, and P. J. Dagdigian, J. Chem. Phys. 85, 3860 (1986).
5. G. Jihua, A. Ali, and P. J. Dagdigian, J. Chem. Phys. 85, 7098 (1986).
6. A. Ali, G. Jihua, and P. J. Dagdigian, J. Chem. Phys. 87, 2045 (1987).
7. P. J. Dagdigian, D. Patel-Misra, A. Berning, H. J. Werner, and M. H. Alexander, J. Chem. Phys. 98, 8580 (1993).
8. J. B. Halpern and Y. Huang, Res. Chem. Kinet. 1, 347 (1993).
9. P. J. Dagdigian, Adv. Ser. Phys. Chem. 6, 315 (1995).
10. R. Fei, D. E. Adelman, T. Carrington, C. H. Dugan, and S. V. Filseth, Chem. Phys. Lett. 232, 547 (1995).
11. P. J. Dagdigian, Annu. Rev. Phys. Chem. 48, 95 (1997).
12. M. C. Heaven, Y. Chen, and W. G. Lawrence, Adv. Mol. Vib. Collision Dyn. 3, 91 (1998).
13. M. H. Alexander, X. Yang, P. J. Dagdigian, A. Berning, and H.-J. Werner, J. Chem. Phys. 112, 781 (2000).
14. X. Yang, P. J. Dagdigian, and M. H. Alexander, J. Chem. Phys. 112, 4474 (2000).
15. B. Nizamov, X. Yang, P. J. Dagdigian, and M. H. Alexander, J. Phys. Chem. A 106, 8345 (2002).
16. A. Alagappan, I. Ballingall, M. L. Costen, and K. G. McKendrick, J. Chem. Phys. 126, 041103 /1 (2007).
17. A. Alagappan, I. Ballingall, M. L. Costen, K. G. McKendrick, and G. Paterson, Phys. Chem. Chem. Phys. 9, 747 (2007).
18. B. E. Wurfel, G. Schallmoser, G. M. Lask, J. Agreiter, A. Thoma, R. Schlachta, and V. E. Bondybey, Chem. Phys. 174, 255 (1993).
19. H. S. Lin, M. G. Erickson, Y. Lin, W. H. Basinger, W. G. Lawrence, and M. C. Heaven, Chem. Phys. 189, 235 (1994).
20. G. Schallmoser, A. Thoma, B. E. Wurfel, and V. E. Bondybey, Chem. Phys. Lett. 219, 101 (1994).
21. Y. Chen and M. C. Heaven, J. Chem. Phys. 109, 2808 (1998).
22. H. J. Werner, B. Follmeg, and M. H. Alexander, J. Chem. Phys. 89, 3139 (1988).
23. H. J. Werner, B. Follmeg, M. H. Alexander, and D. Lemoine, J. Chem. Phys. 91, 5425 (1989).
24. M. Yang and M. H. Alexander, J. Chem. Phys. 107, 7148 (1997).
25. A. L. Kaledin, M. C. Heaven, and J. M. Bowman, J. Chem. Phys. 110, 10380 (1999).
26. Y. Lin and M. C. Heaven, J. Chem. Phys. 94, 5765 (1991).
27. W. G. Lawrence, Y. Chen, and M. C. Heaven, J. Chem. Phys. 107, 7163 (1997).
28. Y. Chen and M. C. Heaven, J. Chem. Phys. 109, 5171 (1998).
29. Y. Chen and M. C. Heaven, J. Chem. Phys. 112, 7416 (2000).
30. J. Han, M. C. Heaven, U. Schnupf, and M. H. Alexander, J. Chem. Phys. 128, 104308 /1-12 (2008).
31. The HIBRIDON package was written by M. H. Alexander, D. E. Manolopoulos, H.-J. Werner, and B. Follmeg, with contributions by P. F. Vohralik, D. Lemoine, G. Corey, R. Gordon, B. Johnson, T. Orlikowski, A. Berning, A. Degli-Esposti, C. Rist, P. Dagdigian, B. Pouilly, G. van der Sanden, M. Yang, F. de Weerd, S. Gregurick, and J. Klos.
32. M. H. Alexander, Chem. Phys. 92, 337 (1985).
33. C. V. V. Prasad and P. F. Bernath, J. Mol. Spectrosc. 156, 327 (1992).
34. M. H. Alexander, S. Gregurick, P. J. Dagdigian, G. W. Lemire, M. J. McQuaid, and R. C. Sausa, J. Chem. Phys. 101, 4547 (1994).
35. M. Yang, M. H. Alexander, C.-C. Chuang, R. W. Randall, and M. I. Lester, J. Chem. Phys. 103, 905 (1995).
36. R. J. LeRoy, LEVEL 8.0, a computer program for solving the radial Schrödinger equation for bound and quasibound levels, University of Waterloo Chemical Physics Research Report CP-633 (2007).
37. MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, A. Berning.
38. H. J. Werner, Mol. Phys. 0026-8976 10.1080/002689796173967 89, 654 (1996); P. Celani and H. J. Werner, J. Chem. Phys. 112, 5546 (2000).
39. T. H. Dunning, Jr., J. Phys. Chem. A 104, 9062 (2000).
40. F. M. Tao, THEOCHEM 367, 55 (1996).
41. F. M. Tao, Int. Rev. Phys. Chem. 20, 617 (2001).
42. T. J. Giese and D. M. York, Int. J. Quantum Chem. 98, 388 (2004).
43. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
44. M. C. Heaven, Int. Rev. Phys. Chem. 24, 375 (2005).
45. D. H. Katayama, J. Chem. Phys. 81, 3495 (1984).
46. A. V. Dentamaro and D. H. Katayama, J. Chem. Phys. 101, 8628 (1994).