A theoretical study of the dynamics of the Al + H2O reaction in the gas-phase

Chemical Physics

Volumn 382, Issue 1-3, 2011, Pages 92-97

  Álvarez Barcia, Sonia ^a   Flores, Jesús R ^a  

^a UNIVERSITY OF VIGO   (Spain)

Author keywords

Al hydroxides; Al reactivity; AlOH2; H2 generation; HAlOH

Indexed keywords

EID: 79957857681     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2011.03.004     Document Type: Article

References (30)

1. S.B. Oblath, and J.L. Gole J. Chem. Phys. 70 1979 581
2. M.R. Jones, and M.Q. Brewster J. Quant. Spectrosc. Radiat. Transfer 46 2 1991 109
3. R.E. McClean, H.H. Nelson, and M.L. Campbell J. Phys. Chem. 97 1993 9673
4. S.B. Oblath, and J.L. Gole Combust. Flame. 37 1980 293
5. R.H. Hauge, J.W. Kauffman, and J.L. Margrave J. Am. Chem. Soc. 102 1980 6005
6. H.A. Joly, J.A. Howard, M. Tomietto, and J.S. Tse J. Chem. Soc., Faraday Trans. 90 1994 3145
7. M.A. Douglas, R.H. Hauge, and J.L. Margrave J. Chem. Soc., Faraday Trans. 179 1983 1533
8. S. Álvarez-Barcia, and J.R. Flores Chem. Phys. Lett. 470 2009 196
9. H.A. Kurtz, and K.D. Jordan J. Am. Chem. Soc. 102 1980 1177
10. S. Sakai J. Phys. Chem. 96 1992 8369
11. S. Sakai J. Phys. Chem. 97 1993 8917
12. B. Jursic Chem. Phys. 237 1998 51
13. H. Watanabe, M. Aoki, and S. Iwata Bull. Chem. Soc. Jpn. 66 1993 3245
14. C.J. Cobos J. Mol. Struct:THEOCHEM 581 2002 17
15. K.K. Agreiter, A.M. Knight, and M.A. Duncan Chem. Phys. Lett. 313 1999 162
16. S. Álvarez-Barcia, and J.R. Flores J. Chem. Phys. 131 2009 174307
17. J. Zheng, S. Zhang, J.C. Corchado, Y.-Y. Chuang, E.L. Coitiño, B.A. Ellingson, D.G. Truhlar, GAUSSRATE-version 2009-A, University of Minnesota, Minneapolis, MN, 2010.
18. J. Zheng, S. Zhang, B.J. Lynch, J.C. Corchado, Y.-Y. Chuang, P.L. Fast, W.-P. Hu, Y.-P. Liu, G.C. Lynch, K.A. Nguyen, C.F. Jackels, A. Fernandez Ramos, B.A. Ellingson, V.S. Melissas, J. Vill, I. Rossi, E.L. Coitiño, J. Pu, T.V. Albu, R. Steckler, B.C. Garrett, A.D. Isaacson, D.G. Truhlar, POLYRATE-version 2010, University of Minnesota, Minneapolis, 2010.
19. L.F. Phillips Prog. Energy Combust. Sci. 18 1992 75
20. J.R. Barker with contributors, N.F. Ortiz, J.M. Preses, L.L. Lohr, A. Maranzana, P.J. Stimac, L.T. Nguyen, MultiWell-2009.3 Software, 2009, University of Michigan, Ann Arbor, MI.
21. J.R. Barker Int. J. Chem. Kinetics 33 2001 232
22. Y.-Y. Chuang, J.C. Corchado, and D.G. Truhlar J. Phys. Chem. A 103 1999 1140
23. D.G. Truhlar, B.C. Garret, and J. Klippenstein J. Phys. Chem. 100 1996 12771
24. D.G. Truhlar, A.D. Isaacson, and B.C. Garrett Generalized transition state theory M. Baer, The Theory of Chemical Reaction Dynamics vol. 4 1985 CRC Press Boca Raton, FL 65 137
25. Y.-P. Liu, G.C. Lynch, T.N. Truong, D.-h. Lu, and D.G. Truhlar J. Am. Chem. Soc. 115 1993 2408
26. Y.-P. Liu, D.-h. Lu, A. Gonzalez-Lafont, D.G. Truhlar, and B.C. Garrett J. Am. Chem. Soc. 115 1993 7806
27. A.J.C. Varandas, F.B. Brown, C.A. Mead, D.G. Truhlar, and N.C. Blais J. Chem. Phys. 85 1987 6258
28. H.-J. Werner, and P.J. Knowles J. Chem. Phys. 82 1985 5053
29. M.J. Frisch, J.A. Pople, and J.S. Binkley J. Chem. Phys. 80 1984 326
30. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553