Modeling gas-grain chemistry with quantum chemical cluster calculations. I. Heterogeneous hydrogenation of CO and H2CO on icy grain mantles

Astrophysical Journal

Volumn 569, Issue 1 I, 2002, Pages 541-548

  Woon, David E ^a  

^a MOLECULAR RESEARCH INSTITUTE   (United States)

Author keywords

ISM: molecules; Molecular processes

Indexed keywords

EID: 0000445999     PISSN: 0004637X     EISSN: 15384357     Source Type: Journal    
DOI: 10.1086/339279     Document Type: Article

References (34)

1. Bar-Nun, A., Litman, M., & Rappaport, M. L. 1980, A&A, 85, 197
2. Boys, S. F., & Bernardi, F. 1970, Mol. Phys., 19, 553
3. Buch, V. 1990, in Molecular Astrophysics, ed. T. W. Hartquist (Cambridge: Cambridge Univ. Press), 132
4. Charnley, S. B., Tielens, A. G. G. M., & Millar, T. J. 1992, ApJ, 399, L71
5. Clark, T., Chandrasekhar, J., Spitznagel, G. W., & Schleyer, P. v. R. 1983, J. Comput. Chem., 4, 294
6. Dapprich, S., Komáromi, I., Byun, K. S., Morokuma, K., & Frisch, M. J. 1999, J. Mol. Struct., 461, 1
7. d'Hendecourt, L. B., Allamandola, L. J., & Greenberg, J. M. 1985, A&A, 152, 130
8. Dimitrova, Y., & Peyerimhoff, S. 1993, J. Phys. Chem., 97, 1273
9. Dunning, T. H., Jr. 1989, J. Chem. Phys., 90, 1007
10. Foresman, J. B., Keith, T. A., Wiberg, K. B., Snoonian, J., & Frisch, M. J. 1996, J. Phys. Chem. 200, 16098
11. Gauss, J., & Cremer, C. 1988, Chem. Phys. Lett., 150, 280
12. Hariharan, P. C., & Pople, J. A. 1973, Theor. Chim. Acta, 28, 213
13. Herbst, E. 1993, in Dust and Chemistry in Astronomy, ed. T. J. Millar & D. A. Williams (Bristol: IOP), 183
14. Hiraoka, K., Miyagoshi, T., Takayama, T., Yamamoto, K., & Kihara, Y. 1998, ApJ, 498, 710
15. Hiraoka, K., Ohashi, N., Kihara, Y., Yamamoto, K., Sato, T., & Yamashita, A. 1994, Chem Phys. Lett., 229, 408
16. Hiraoka, K., & Sato, T. 2001, Radiat. Phys. Chem., 60, 389
17. Hiraoka, K., Sato, T., & Takayam, T. 2001, Science, 292, 869
18. Jenniskens, P., & Blake, D. F. 1994, Science, 265, 753
19. Kendall, R. A., Dunning, T. H., Jr., & Harrison, R. J. 1992, J. Chem. Phys., 96, 9796
20. Leitch-Devlin, M. A., & Williams, D. A. 1984, MNRAS, 210, 577
21. Maseras, F., & Morokuma, K. 1995, J. Comput. Chem., 16, 1170
22. Millar, T. J., & Williams, D. A. 1993, in Dust and Chemistry in Astronomy, ed. T. J. Millar & D. A. Williams (Bristol: IOP), 1
23. Møller, C., & Plesset, M. S. 1934, Phys. Rev., 46, 618
24. Petraco, N. D. K., Allen, W. D., & Schaefer, H. F., III. 2002, J. Chem. Phys., submitted
25. Pople, J. A., Head-Gordon, M., & Raghavachari, K. 1987, J. Chem. Phys., 87, 5968
26. Tielens, A. G. G. M., & Hagen, W. 1982, A&A, 114, 245
27. Tielens, A. G. G. M., & Whittet, D. C. B. 1997, in Molecules in Astrophysics, ed. E. F. van Dishoeck (Dordrecht: Kluwer), 45
28. van IJzendoorn, L. J., Allamandola, L. J., Baas, F., & Greenberg, J. M. 1983, J. Chem. Phys., 78, 7019
29. Walch, S. P. 1993, J. Chem. Phys., 98, 3076
30. Wang, H. Y., Eyre, J. A., & Dorfman, L. M. 1973, J. Chem. Phys., 59, 5199
31. Williams, D. A. 1993, in Dust and Chemistry in Astronomy, ed. T. J. Millar & D. A. Williams (Bristol: IOP), 143
32. Woon, D. E. 1996, J. Chem. Phys., 105, 9921
33. _. 1999, Icarus, 142, 550
34. _. 2001, Icarus, 149, 277