An extensive ab initio study of the Si + C2H2 and Si + C2H4 reactions in relation to the silicon astrochemistry

Chemical Physics

Volumn 313, Issue 1-3, 2005, Pages 17-23

  Talbi, D ^a  

^a MUSÉUM NATIONAL D'HISTOIRE NATURELLE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; HYDROGEN; SILICON;

AB INITIO CALCULATION; ABSORPTION; ARTICLE; ASTROCHEMISTRY; BIOCHEMISTRY; CORRELATION ANALYSIS; DENSITY GRADIENT; ENERGY YIELD; ENVIRONMENT; FIELD EMISSION; GAS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; RADIATION; REACTION ANALYSIS; SURFACE PROPERTY; TECHNIQUE;

EID: 17044435833     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.12.010     Document Type: Article

References (33)

1. C.M. Walmsley, G. Pineau des Forets, and D.R. Flower Astron. Astrophys. 342 1998 542
2. K. Demyk, E. Dartois, H. Wiesemeyer, A.P. Jones, and L. d'Hendecourt Astron. Astrophys. 364 2000 170
3. J. Cernicharo, C.A. Gottlieb, M. Guelin, P. Thaddeus, and J.M. Vrtilek Astrophys. J L25 1989 341
4. M. Ohishi Astrophys. J L83 1989 345
5. B.E. Turner Astrophys. J L35 1992 388
6. P. Thaddeus, S.E. Cummins, and A. Linke Astrophys. J L45 1984 283
7. A.J. Apponi, M.C. MacCarthy, C.A. Gottlieb, and P. Thaddeus Astrophys. J. 51 1999 L103
8. M. Guélin, S. Muller, J. Cernicharo, A.J. Apponi, M.C. MacCarthy, C.A. Gottlieb, and P. Thaddeus Astron. Astrophys. 363 2000 L9
9. D.D.S. MacKay, and S.B. Charnley Mon. Not. R. Astron. Soc. 302 1999 793
10. P.D. Gensheimer, L. Likkel, and L.E. Snyder Astrophys. J. 439 1995 445
11. D.A. Howe, and T.J. Millar Mon. Not. R. Astron. Soc. 244 1990 444
12. K. Willacy, and T.J. Millar Astron. Astrophys. 324 1997 237
13. Y.H. Le Teuff, T.J. Millar, and A.J. Markwick Astron. Astrophys. Supp. Ser. 146 2000 157
14. K. Willacy, and I. Cherchneff Astron. Astrophys. 330 1998 676
15. S.C. Basu, and D. Husain J. Photochem. Photobiol. A 42 1988 1
16. S.C. Basu, and D. Husain Z. Phys. Chem. 158 1988 1
17. D. Husain, and P.E. Norris J. Chem. Soc. Faraday Trans. 2 74 1978 106
18. A. Canosa, S.D. Le Picard, S. Gougeon, C. Rebrion-Rowe, D. Travers, and B.R. Rowe J. Chem. Phys. 115 2001 6495
19. S. Ming-Der, R.D. Amos, and N.C. Handy J. Am. Chem. Soc. 112 1990 1499
20. A.E. Ketvirtis, D.K. Bohme, and A.C. Hopkinson J. Phys. Chem 99 1995 16121
21. J.C. Barthelat, G. Trinquier, and G. Bertrand J. Am. Chem. Soc. 101 1979 3785
22. G. Frenking, R.B. Remington, and H.F. Schaefer III J. Am. Chem. Soc. 108 1986 2169
23. M.H. Lien, and A.C. Hopkinson Chem. Phys. Lett. 80 1981 114
24. M.T. Nguyen, D. Sengupta, and L.G. Vanquickenborne Chem. Phys. Lett 240 1995 513
25. A.D. Becke J. Chem. Phys. 98 1993 5648
26. C. Lee, W. Yang, and R.G. Parr Phys. Rev. B 37 1988 785
27. B. Miehlich, A. Savin, H. Stoll, and H. Preuss Chem. Phys. Lett. 157 1989 200
28. K. Raghavachari, G.W. Trucks, J.A. Pople, and M. Head-Gordon Chem. Phys. Lett 157 1989 479
29. M.J. Frisch, G.W. Trucks, and J.R. Cheeseman Theoretical and Computational Chemistry vol. 4 1996 Elsevier Science B.V.
30. M.J. Frisch, G.W. Trucks, and H.B. Schlegel Gaussian (Revision A.5) 1998 Pittsburgh Gaussian, Inc
31. Atomic Energy Levels, Volume I Circular of the National Bureau of Standards 467 Si, Herzberg, Washington, 1949, pp. 144-162
32. R.I. Kaiser, D. Stranges, Y.T. Lee, and A.G. Suits Astrophys. J. 477 1997 982
33. O. Parisel, and D. Talbi Quantum molecular systems in astrophysics: the illustrative example of interstellar nitriles and silanitriles A. Hernandez-Laguna J. Maruani R. McWeeny S. Wilson Quantum Systems in Chemistry and Physics vol. 2 1998 Kluwer Academic Publishers