First principles quantum dynamics study reveals subtle resonance in polyatomic reaction: The case of F + CH4 → HF + CH3

Chemical Physics Letters

Volumn 424, Issue 4-6, 2006, Pages 243-246

  Chu, Tianshu ^a   Zhang, Xin ^a   Ju, Liping ^a   Yao, Li ^a   Han, Ke Li ^a   Wang, Mingliang ^b   Zhang, John Z H ^b  

^a DALIAN INSTITUTE OF CHEMICAL PHYSICS   (China)

^b NEW YORK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

FLUORINE; MOLECULAR BEAMS; POTENTIAL ENERGY; PROBABILITY; QUANTUM THEORY; REACTION KINETICS; RESONANCE;

HIGH LEVEL AB INITIO CALCULATIONS; MOLECULAR BEAM EXPERIMENT; QUANTUM DYNAMICS CALCULATION;

ORGANIC COMPOUNDS;

EID: 33744914878     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2006.03.101     Document Type: Article

References (30)

1. Neumark D.M., Wodtke A.M., Robinson G.N., Hayden C.C., and Lee Y.T. J. Chem. Phys. 82 (1985) 3045
2. Neumark D.M., Wodtke A.M., Robinson G.N., Hayden C.C., Shobatake K., Sparks R.K., Schafer T.P., and Lee Y.T. J. Chem. Phys. 82 (1985) 3067
3. Metz R.B., Kitsopoulos T., Weaver A., and Neumark D.M. J. Chem. Phys. 88 (1988) 1463
4. Kliner D.A.V., Adelman D.E., and Zare R.N. J. Chem. Phys. 94 (1991) 1069
5. Liu K. Annu. Rev. Phys. Chem. 52 (2001) 139
6. Fernandez-Alonso F., and Zare R.N. Annu. Rev. Phys. Chem. 53 (2002) 67
7. D.G. Truhlar (Ed.), Resonances in Electron-molecule Scattering, van der Waals Complexes, and Reactive Chemical Dynamics, ACS Symposium Series, vol. 263, 1984.
8. Schatz G.C. Annu. Rev. Phys. Chem. 39 (1988) 317
9. Zhang J.Z.H., and Miller W.H. J. Chem. Phys. 91 (1989) 1528
10. Miller W.H., and Zhang J.Z.H. J. Phys. Chem. 95 (1991) 12
11. Lynch G.C., Halvick P., Zhao M.S., Truhlar D.G., Yu C.H., Kouri D.J., and Schwenke D.W. J. Chem. Phys. 94 (1991) 7150
12. Skouteris D., Manolopoulos D.E., Bian W., Werner H.-J., Lai L.-H., and Liu K. Science 286 (1999) 1713
13. Skodje R.T., Skouteris D., Manolopoulos D.E., Lee S.-H., Dong F., and Liu K. Phys. Rev. Lett. 85 (2000) 1206
14. Xie T., Wang D.Y., Bowman J.M., and Manolopoulos D.E. J. Chem. Phys. 116 (2002) 7461
15. Zhang J.Z.H., and Miller W.H. Chem. Phys. Lett. 153 (1988) 465
16. Continetti R.E., Zhang J.Z.H., and Miller W.H. J. Chem. Phys. 93 (1990) 5356
17. Shiu W.C., Lin J.J., and Liu K.P. Phys. Rev. Lett. 92 (2004) 103201
18. Shiu W.C., Lin J.J., and Liu K.P. J. Chem. Phys. 120 (2004) 117
19. Lin J.J., Zhou J.G., Shiu W.C., et al. Science 300 (2003) 966
20. Zhou J.G., Lin J.J., and Liu K.P. J. Chem. Phys. 121 (2004) 813
21. Zhang D.H., and Zhang J.Z.H. J. Chem. Phys. 101 (1994) 1146
22. Zhang J.Z.H., Dai J., and Zhu W. J. Phys. Chem. A 101 (1997) 2746
23. Zhang D.H., Collins M.A., and Lee S.Y. Science 290 (2000) 961
24. Zhang J.Z.H. J. Chem. Phys. 111 (1999) 3929
25. Wang M.L., and Zhang J.Z.H. J. Chem. Phys. 117 (2002) 3081 10426
26. X. Zhang, C. L. Yang, K. L. Han, in preparation. The fortran code of the present PES. Available from: .
27. Jordan M.J.T., and Gilbert R.G. J. Chem. Phys. 102 (1995) 5669
28. Troya D. J. Chem. Phys. 123 (2005) 214305
29. Castillo J.F., Aoiz F.J., Banares L., Martinez-Nunez E., Fernandez-Ramos A., and Vazquez S. J. Phys. Chem. A 109 (2005) 8459
30. Jordan M.J.T., Thompson K.C., and Collins M.A. J. Chem. Phys. 102 (1995) 5647