Theoretical study of the isomerization of TaC+n(n = 7-13) cations

Chemical Physics Letters

Volumn 265, Issue 3-5, 1997, Pages 553-560

  Roszak, S ^a,b   Balasubramanian, K ^a  

^a ARIZONA STATE UNIVERSITY   (United States)

^b WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031557019     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(96)01489-3     Document Type: Article

References (30)

1. [1] D.C. Parent and S.W. McElvany, J. Am. Chem. Soc. 111 (1989) 2393.
2. [2] C.J. Cassady and S.W. McElvany, J. Am. Chem. Soc. 112 (1990) 4788.
3. [3] S.W. McElvany and C.J. Cassady, J. Phys. Chem. 94 (1990) 2057.
4. [4] S.K. Gupta, J.E. Kingcade Jr. and K.A. Gingerich, in: Advances in Mass Spectrometry, Vol. 8, ed. A. Quayle (Hayden, Philadelphia, 1980), Vol. 8, p. 445.
5. [5] K.B. Shelimov, D.E. Clemmer and M.F. Jarrold, J. Phys. Chem. 99 (1995) 11376.
6. [6] W.A. Chupka, J. Berkowitz, C.F. Giese and M.G. Inghram, J. Phys. Chem. 62 (1958) 611.
7. [7] J.R. Heath, S.C. O'Brien, Q. Zhang, Y. Liu, R.F. Curl, H.W. Krato, F.K. Tittel and R.E. Smalley, J. Am. Chem. Soc. 107 (1985) 7779.
8. [8] D.S. Bethune, R.D. Johnson, J.R. Salem, M.S. de Vries and C.S. Yannoni, Nature 366 (1993) 123.
9. [9] K.A. Gingerich, Curr. Top. Mater. Sci. 6 (1980) 345.
10. [10] S.W. McElvany, W.R. Creasy and A. O'Keefe, J. Chem. Phys. 85 (1986) 632.
11. [11] G. von Helden, M.T. Hsu, P.R. Kemper and M.T. Bowers, J. Chem. Phys. 95 (1991) 3835.
12. [12] F.J. Kohl and C.A. Stearns, High Temperature Sci. 6 (1974) 284.
13. [13] A. Mayr, K.C. Schaefer and E.Y. Huang, J. Am. Chem. Soc. 106 (1984) 1517.
14. [14] S.M. Rocklage, J.D. Fellmann, G.A. Rupprecht, L.W. Messerle and R.R. Schrock, J. Am. Chem. Soc. 103 (1981) 1440.
15. [15] D.E. Clemmer, K.B. Shelimov and M.F. Jarrold, J. Am. Chem. Soc. 116 (1994) 5971.
16. [16] E.E. Campbell, in: Clusters of Atoms and Molecules, ed. H. Haberland (Springer, Berlin, 1994) p. 331.
17. [17] R. G. Parr and W. Yang, Density Functional Theory of Atoms and Molecules (Oxford Univ. Press, New York, 1989).
18. [18] A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
19. [19] S.H. Vosko, L. Wilk and M. Nusiar, Canadian J. Phys. 58 (1980) 1200.
20. [20] C. Lee, W. Yang and R.G. Parr, Phys. Rev. B. 37 (1988) 785.
21. [21] R.B. Ross, J.M. Powers, T. Atashroo, W.C. Elmler, L.A. LaJohn and P.A. Christiansen, J. Chem. Phys. 93 (1990) 6654.
22. [22] L.F. Pacios and P.A. Christiansen, J. Chem. Phys. 82 (1985) 2664.
23. [23] T.H. Dunning and P.J Hay, in: Methods of Electronic Structure Theory, ed. H.F. Schaefer III (Plenum Press, New York, 1977) p. 1.
24. [24] J. Baker, J. Comput. Chem. 7 (1985) 385.
25. [25] H. B. Schlegel, J. Comput. Chem. 3 (1982) 214.
26. [26] M.J. Frish, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T. Keith, G.A. Petersson, M.A. Robb, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Oritz, 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, and J.A. Pople, Gaussian 94, Revision C.2 (Gaussian Inc., Pittsburgh, PA, 1995).
27. [27] J.M.L. Martin, J.P. Francois, R. Gijbels and J. Almlöf, Chem. Phys. Lett. 187 (1991) 367.
28. [28] M. Feyerisen, M. Gutowski, J. Simons and J. Almlof, J. Chem. Phys. 96 (1992) 2926.
29. [29] S.W. McElvany, B.I. Dunlop and A. O'Keefe, J. Chem. Phys. 86 (1987) 715.
30. [30] S.W. McElvany, J. Chem. Phys. 89 (1988) 2063.