An MO study of neutral C8 high-symmetry clusters

Chemical Physics Letters

Volumn 280, Issue 3-4, 1997, Pages 227-232

  Nyrönen, Tommi H ^a   Suontamo, Reijo ^b  

^a CSC Scientific Computing Ltd   (Finland)

^b UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0031555420     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(97)01103-2     Document Type: Article

References (27)

1. Thompson K.R., DeKock R.L., Weltner W. Jr. J. Am. Chem. Soc. 93:1971;4688.
2. Weltner W. Jr., van Zee R.J. Chem. Rev. 89:1989;1713.
3. Kroto H.W., Heath J.R., O'Brien S.C., Curl R.F., Smalley R.E. Nature (London). 318:1985;162.
4. Eaton P.E., Cole T.W. Jr. J. Am. Chem. Soc. 86:1964;962.
5. Fleischer E.B. J. Am. Chem. Soc. 86:1964;3889.
6. Hutter J., Lüthi H.P., Diederich F. J. Am. Chem. Soc. 116:1994;750.
7. Martin J.M.L., Francois J.P., Gijbels R. J. Chem. Phys. 93:1990;8850.
8. Martin J.M.L., Francois J.P., Gijbels R. J. Comput. Chem. 12:1991;52.
9. Raghavachari K., Binkley J.S. J. Chem. Phys. 87:1987;2191.
10. Tseng S., Shen M., Yu C. Theor. Chim. Acta. 92:1995;269.
11. Martin J.M.L., Francois J.P., Gijbels R. Chem. Phys. Lett. 242:1995;570.
12. Martin J.M.L., Taylor P.R. J. Phys. Chem. 100:1996;6047.
13. Parasuk V., Almlöf J. Theor. Chim. Acta. 83:1992;227.
14. Martin J.M.L., El-Yazal J., Francois J.-P. Chem. Phys. Lett. 242:1995;570.
15. Becke A.D.J. J. Chem. Phys. 98:1993;5648.
16. Lee C., Yang W., Parr R.G. Phys. Rev. B. 37:1988;785.
17. Miehlich B., Savin A., Stoll H., Preuss H. Chem. Phys. Lett. 157:1989;200.
18. J.B. Foresman, Æ. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd ed., Gaussian Inc., Pittsburg, PA, 1996, p.64.
19. Møller C., Plesset M.S. Phys. Rev. 46:1934;618.
20. Pople J.A., Seeger R., Krishnan R. Int. J. Quant. Chem. Symp. 11:1977;149.
21. M.J. Frisch, G.W. Trucks, H.B. Schlegel, P.M.W. Gill, B.G. Johnson, M.A. Robb, J.R. Cheeseman, T.A. Keith, G.A. Petersson, J.A. Montgomery, K. Raghavachari, M.A. Al-Laham, V.G. Zakrzewski, J.V. Ortiz, J.B. Foresman, 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 B.2, Gaussian Inc., Pittsburgh, PA, 1995.
22. Raghavachari K., Trucks G.W., Pople J.A., Head-Gordon M. Chem. Phys. Lett. 157:1989;479.
23. Dunning T.H. J. Chem. Phys. 90:1989;1007.
24. Becke A.D. Phys. Rev. A. 38:1988;3098.
25. J.E. Huheey, E.A. Keiter, R.L. Keiter, Inorganic Chemistry, 4th ed., Harper Collins, New York, 1993, p.A-30.
26. K.P. Huber, G. Herzberg, Molecular Spectra and Molecular Structure, Van Nostrand Reinhold, New York, 1979.
27. Szczepanski J., Ekern S., Chapo C., Vala M. Chem. Phys. 211:1996;359.