Maximal non-adjacent addition to fullerene-70: Computation of all the closed shell isomers of C70X26

Fullerene Science and Technology

Volumn 7, Issue 3, 1999, Pages 427-435

  Crane, Jonathan D ^a  

^a UNIVERSITY OF HULL   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ADDITION REACTIONS; COMPOSITION EFFECTS; COMPUTATIONAL METHODS; ISOMERS; MATHEMATICAL MODELS;

HUCKEL METHOD;

FULLERENES;

EID: 0032625648     PISSN: 1064122X     EISSN: None     Source Type: Journal    
DOI: 10.1080/10641229909350292     Document Type: Article

References (6)

1. Tebbe, F. N., Harlow, R. L., Chase, D. B., Thorn, D. L., Campbell, G. C., Calabrese, J. C., Herron, N., Young, R. J., and Wassermann, E., Science, 1992, 96, 822.
2. Birkett, P. R., Hitchcock, P. B., Kroto, H. W., Taylor, R., and Walton, D. R. M., Nature (London), 1992, 357, 479.
3. R. Taylor, J. Chem. Soc., Perkin Trans. 2, 1993, 813.
4. ADDEND70 is available from the author upon request.
5. 2, version 3.5; Universal Force Field, version 1.02, with charge equilibration.
6. Fowler, P. W., Sandall, J. P. B., Austin, S. J., Manolopoulos, D. E., Lawrenson, P. D. M., and Smallwood, J. M., Synthetic Metals, 1996, 77, 97.