Ab initio molecular orbital study on the H2 loss reaction from ethane cation, C2H+6

Chemical Physics Letters

Volumn 277, Issue 4, 1997, Pages 291-298

  Kurosaki, Yuzuru ^a   Takayanagi, Toshiyuki ^a  

^a JAPAN ATOMIC ENERGY AGENCY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031563669     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)00921-4     Document Type: Article

References (26)

1. [1] K.-M. Weitzel, J. Mähnert, H. Baumgärtel, Ber. Bunsenges. Phys. Chem. 97 (1993) 134.
2. [2] K.-M. Weitzel, Int. J. Mass Spectrom. Ion Process. 136 (1994) 1.
3. [3] S.M. Braten, T. Helgaker, E. Uggerud, T. Vulpius, Org. Mass Spectrom. 28 (1993) 1262.
4. [4] A. Ioffe, S. Shaik, J. Chem. Soc. Perkin Trans. 2 (1993) 1461.
5. [5] M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, J. Cioslowski, B.B. Stefanov, A. Nanayakkara, M. Challacombe, C.Y. Peng, P.Y. Ayala, W. Chen, M.W. Wong, J.L. Andres, E.S. Replogle, R. Gomperts, R.L. Martin, D.J. Fox, J.S. Binkley, D.J. Defrees, J. Baker, J.P. Stewart, M. Head-Gordon, C. Gonzalez, J.A. Pople, Gaussian 94, Revision D.3, Gaussian, Inc., Pittsburgh PA, 1995.
6. [6] H.B. Schlegel, J. Comput. Chem. 3 (1982) 214.
7. [7] M. Head-Gordon, J.A. Pople, M.J. Frisch, Chem. Phys. Lett. 153 (1988) 503.
8. [8] M.J. Frisch, M. Head-Gordon, J.A. Pople, Chem. Phys. Lett. 166 (1990) 275.
9. [9] M.J. Frisch, M. Head-Gordon, J.A. Pople, Chem. Phys. Lett. 166 (1990) 281.
10. [10] R. Krishnan, J.S. Binkley, R. Seeger, J.A. Pople, J. Chem. Phys. 72 (1980) 650.
11. [11] T. Clark, J. Chandrasekhar, G.W. Spitznagel, P. von R. Schleyer, J. Comput. Chem. 4 (1983) 294.
12. [12] M.J. Frisch, J.A. Pople, J.S. Binkley, J. Chem. Phys. 80 (1984) 3265.
13. [13] M. Head-Gordon, T. Head-Gordon, Chem. Phys. Lett. 220 (1994) 122.
14. [14] J.A. Pople, R. Seeger, R. Krishnan, Int. J. Quantum Chem. Symp. 11 (1977) 149.
15. [15] J.A. Pople, J.S. Binkley, R. Seeger, Int. J. Quantum Chem. Symp. 10 (1976) 1.
16. [16] R. Krishnan, J.A. Pople, Int. J. Quantum Chem. 14 (1978) 91.
17. [17] R. Krishnan, M.J. Frisch, J.A. Pople, J. Chem. Phys. 72 (1980) 4244.
18. [18] J.A. Pople, M. Head-Gordon, K. Raghavachari, J. Chem. Phys. 87 (1987) 5968.
19. [19] K. Fukui, J. Phys. Chem. 74 (1970) 4161.
20. [20] C. Gonzalez, H.B. Schlegel, J. Chem. Phys. 90 (1989) 2154.
21. [21] C. Gonzalez, H.B. Schlegel, J. Phys. Chem. 94 (1990) 5523.
22. [22] W.H. Miller, J. Am. Chem. Soc. 101 (1979) 6810.
23. [23] S. Lunell, M.-B. Huang, J. Chem. Soc. Chem. Commun. (1989) 1031.
24. [24] H. Zuilhof, J.P. Dinnocenzo, A.C. Reddy, S. Shaik, J. Phys. Chem. 100 (1996) 15774.
25. [25] S.A. Maluendes, A.D. McLean, E. Herbst, Chem. Phys. Lett. 217 (1994) 571.
26. [26] H.B. Schlegel, J. Chem. Phys. 84 (1986) 4530.