A statistical quasiclassical trajectory model for atom-diatom insertion reactions

Journal of Chemical Physics

Volumn 126, Issue 16, 2007, Pages

  Aoiz, F J ^a   Rábanos, V Sáez ^b   Gonzalez Lezana T ^c   Manolopoulos, D E ^d  

^a UNIVERSIDAD COMPLUTENSE DE MADRID   (Spain)

^b UNIVERSIDAD POLITÉCNICA DE MADRID   (Spain)

^c INSTITUTO DE MATEMÁTICAS Y FÍSICA FUNDAMENTAL   (Spain)

^d UNIVERSITY OF OXFORD   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CENTRIFUGATION; COMPUTER SIMULATION; ION EXCHANGE; MATHEMATICAL MODELS; WAVE FUNCTIONS;

ATOM-DIATOM INSERTION REACTIONS; STATISTICAL QUASICLASSICAL TRAJECTORY (SQCT); ZERO POINT ENERGY;

STATISTICAL METHODS;

EID: 34247591994     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2723067     Document Type: Article

References (20)

1. F. J. Aoiz, L. Baares, and V. J. Herrero, J. Phys. Chem. A 110, 12546 (2006).
2. For a recent review see T. González-Lezana, Int. Rev. Phys. Chem. 26, 29 (2007).
3. E. J. Rackham, F. Huarte-Larraaga, and D. E. Manolopoulos, Chem. Phys. Lett. 343, 356 (2001).
4. E. J. Rackham, T. González-Lezana, and D. E. Manolopoulos, J. Chem. Phys. 119, 12895 (2003).
5. N. Balucani, G. Capozza, E. Segoloni, A. Russo, R. Bobbenkamp, P. Casavecchia, T. González-Lezana, E. J. Rackham, L. Baares, and F. J. Aoiz, J. Chem. Phys. 122, 234309 (2005).
6. N. Balucani, P. Casavecchia, L. Baares, F. J. Aoiz, T. González-Lezana, P. Honvault, and J.-M. Launay, J. Phys. Chem. A 110, 817 (2006).
7. T. González-Lezana, O. Roncero, P. Honvault, J.-M. Launay, N. Bulut, F. J Aoiz, and L. Baares, J. Chem. Phys. 125, 0943114 (2006).
8. D. R. Herschbach, Discuss. Faraday Soc. 33, 149 (1962).
9. W. B. Miller, S. A. Safron, and D. R. Herschbach, Discuss. Faraday Soc. 44, 108 (1967).
10. S. K. Kim and D. R. Herschbach, Faraday Discuss. Chem. Soc. 84, 159 (1987).
11. D. O. Ham and J. L. Kinsey, J. Chem. Phys. 53, 285 (1970).
12. L. Baares, F. J. Aoiz, P. Honvault, B. Bussery-Honvault, and J.-M. Launay, J. Chem. Phys. 118, 565 (2003).
13. N. Balucani, L. Cartechini, G. Capozza, E. Segoloni, P. Casavecchia, G. G. Volpi, F. J. Aoiz, L. Baares, P. Honvault, and J.-M. Launay, Phys. Rev. Lett. 89, 013201 (2002).
14. P. Larŕgaray, L. Bonnet, and J.-C. Rayez, J. Phys. Chem. A 110, 1552 (2006).
15. L. Bonnet, P. Larŕgaray, J.-C. Rayez, and T. González- Lezana, Phys. Chem. Chem. Phys. 8, 3951 (2006).
16. P. Pechukas and J. C. Light, J. Chem. Phys. 42, 3281 (1965).
17. W. H. Miller, J. Chem. Phys. 52, 543 (1970).
18. F. J. Aoiz, V. Sáez-Rábanos, B. Martínez-Haya, and T. González-Lezana, J. Chem. Phys. 123, 094101 (2005).
19. F. J. Aoiz, M. Brouard, C. Eyles, J. F. Castillo, and V. Sáez-Rábanos, J. Chem. Phys. 125, 144105 (2006).
20. F. J. Aoiz, V. J. Herrero, M. P. de Miranda, and V. Sáez- Rábanos (unpublished).