Valence bond multiple excitation RVB calculations on the singlet ground states of some carbon fullerenes C n with 20≤n≤60

Chemical Physics Letters

Volumn 298, Issue 1-3, 1998, Pages 71-78

  Flocke, N ^a   Schmalz, T G ^a  

^a TEXAS A AND M UNIVERSITY AT GALVESTON   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0002467453     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(98)01176-2     Document Type: Article

References (19)

1. Kroto H.W., Heath J.R., O'Brien S.C., Curl R.F., Smalley R.E. Nature. 318:1985;162.
2. J. Cioslowski, Electronic Structure Calculations on Fullerenes and Their Derivatives, Oxford University Press, 1995.
3. Schmalz T.G., Seitz W.A., Klein D.J., Hite G.E. J. Am. Chem. Soc. 110:1988;1113.
4. Pauling L., Wheland G.W. J. Chem. Phys. 1:1933;362.
5. L. Pauling, The Nature of the Chemical Bond, Cornell University Press, Ithaca, NY, 1939.
6. Van Vleck J.H., Sherman A. Rev. Mod. Phys. 7:1953;167.
7. Alexander S.A., Schmalz T.G. J. Am. Chem. Soc. 109:1987;6933.
8. Flocke N., Schmalz T.G., Klein D.J. J. Chem. Phys. 109:1998;873.
9. Simpson W.T. J. Am. Chem. Soc. 75:1953;597.
10. Herndon W.C. J. Am. Chem. Soc. 95:1973;2404.
11. Randić M. Tetrahedron. 31:1975;1477.
12. Randić M., Trinajstić N. J. Am. Chem. Soc. 106:1984;4428.
13. E. Clar, The Aromatic Sextet, John Wiley, New York, 1972.
14. Cooper I.L., McWeeny R. J. Chem. Phys. 45:1966;226.
15. Wen G., Soos Z.G. J. Chem. Phys. 108:1998;2486.
16. P.W. Fowler, D.E. Manolopoulos, An Atlas of Fullerenes, International Series of Monographs on Chemistry, vol. 30, Clarendon Press, Oxford, 1995.
17. Babić D., Klein D.J., Sah C.H. Chem. Phys. Lett. 211:1993;235.
18. Sheng D.N., Weng Z.Y., Ting C.S., Dong J.M. Phys. Rev. B. 49:1994;4279.
19. Krivnov V.Y., Shamovsky I.L., Tornau E.E., Rosengren A. Phys. Rev. B. 50:1994;12144.