Reduced-dimensionality quantum reactive scattering calculations of the C(3P) + C2H2 reaction on a new potential energy surface

Chemical Physics

Volumn 312, Issue 1-3, 2005, Pages 61-67

  Takayanagi, Toshiyuki ^a  

^a SAITAMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; CARBON;

ARTICLE; CALCULATION; CHEMICAL REACTION; CHEMICAL STRUCTURE; ELECTROCHEMISTRY; ENERGY; EXCITATION; LIGHT SCATTERING; QUALITATIVE ANALYSIS; QUANTUM MECHANICS;

EID: 15744363752     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.11.026     Document Type: Article

References (27)

1. D.C. Clary, E. Buonomo, I.R. Sims, I.W.M. Smith, W.D. Geppert, C. Naulin, M. Costes, L. Cartechini, and P. Casavecchia J. Phys. Chem. A 106 2002 5541
2. I.W.M. Smith Chem. Soc. Rev. 31 2002 137
3. N. Haider, and D. Husain Z. Phys. Chem. (Munich) 176 1992 133
4. N. Haider, and D. Husain J. Chem. Soc., Faraday Trans. 89 1993 7
5. D.C. Clary, N. Haider, D. Husain, and M. Kabir Astrophys. J. 422 1994 416
6. D. Chastaing, P.L. James, S.D. Le Picard, I.R. Sims, and I.W.M. Smith Phys. Chem. Chem. Phys. 1 1999 2247
7. D. Chastaing, S.D. Le Picard, I.R. Sims, and I.W.M. Smith Astron. Astrophys. 365 2001 241
8. R.I. Kaiser, D. Stranges, Y.T. Lee, and A.G. Suits Astrophys.J. 477 1997 982
9. R.I. Kaiser, C. Ochsenfeld, M. Head-Gordon, Y.T. Lee, and A.G. Suits J. Chem. Phys. 106 1997 1729
10. C. Ochsenfeld, R.I. Kaiser, Y.T. Lee, A.G. Suits, and M. Head-Gordon J. Chem. Phys. 106 1997 4141
11. R.I. Kaiser, A.M. Mebel, and Y.T. Lee J. Chem. Phys. 114 2001 231
12. L. Cartechini, A. Bergeat, G. Capozza, P. Casavecchia, G.G. Volpi, W.D. Geppert, C. Naulin, and M. Costes J. Chem. Phys. 116 2002 5603
13. J. Takahashi, and K. Yamashita J. Chem. Phys. 104 1996 6614
14. R. Guadagnini, G.C. Schatz, and S.P. Walch J. Phys. Chem. A 102 1998 5857
15. A.M. Mebel, W.M. Jackson, A.H.H. Chang, and S.H. Lin J. Am. Chem. Soc. 120 1998 5751
16. E. Buonomo, and D.C. Clary J. Phys. Chem. A 105 2001 2694
17. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, V.G. Zakrzewski, J.A. Montgomery Jr., R.E. Stratmann, J.C. Burant, S. Dapprich, J.M. Millam, A.D. Daniels, K.N. Kudin, M.C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G.A. Petersson, P.Y. Ayala, Q. Cui, K. Morokuma, D.K. Malick, A.D. Rabuck, K. Raghavachari, J.B. Foresman, J. Cioslowski, J.V. Ortiz, A.G. Baboul, B.B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R.L. Martin, D.J. Fox, T. Keith, M.A. Al-Laham, C.Y. Peng, A. Nanayakkara, M. Challacombe, P.M.W. Gill, B. Johnson, W. Chen, M.W. Wong, J.L. Andres, C. Gonzalez, M. Head-Gordon, E.S. Replogle, and J.A. Pople Gaussian 98, Revision A.9 1998 Gaussian, Inc. Pittsburgh, PA
18. A. Aguado, and M. Paniagua J. Chem. Phys. 96 1992 1265
19. T. Takayanagi, and Y. Kurosaki J. Chem. Phys. 113 2000 7158
20. K. Yagi, T. Takayanagi, T. Taketsugu, and K. Hirao J. Chem. Phys. 120 2004 10395
21. F. Huarte-Larrañaga, X. Giménez, A. Aguilar, and M. Baer Chem. Phys. Lett. 291 1998 346
22. F. Huarte-Larrañaga, X. Giménez, and A. Aguilar J. Chem. Phys. 109 1998 5761
23. F. Huarte-Larrañaga, X. Giménez, and A. Aguilar J. Chem. Phys. 111 1999 1979
24. P. McGuire, and D.J. Kouri J. Chem. Phys. 60 1974 2488
25. J.C. Light, I.P. Hamilton, and J.V. Lill J. Chem. Phys. 82 1985 1400
26. D. Neuhauser, and M. Baer J. Chem. Phys. 90 1989 4351
27. D. Neuhauser, and M. Baer J. Chem. Phys. 92 1990 3419