FAVORABLE STRUCTURES FOR HIGHER FULLERENES Academic Article

abstract

• A study is made of elemental carbon cages corresponding to polyhedra with hexagonal and pentagonal faces such that no two pentagons abut. All such preferable cages of up to =94 vertices are generated, and simple Hckel MO and resonance-theoretic computations are made. The graphical structures more favored by these computations are reported for the experimentally relevant vertex (or atomic) counts of =60, 70, 76, 78, 84, and 90. The NMR line patterns for these favorable structures are also given. 1992.

authors

• Klein, Douglas

published proceedings

• CHEMICAL PHYSICS LETTERS

author list (cited authors)

• LIU, X., SCHMALZ, T. G., & KLEIN, D. J.

citation count

• 117

complete list of authors

• LIU, X||SCHMALZ, TG||KLEIN, DJ

publication date

• January 1992

publisher

• Elsevier  Publisher

published in

• CHEMICAL PHYSICS LETTERS  Journal

Digital Object Identifier (DOI)

• 10.1016/0009-2614(92)80864-8

start page

• 550

end page

• 554

volume

• 188

issue

• 5-6

URL

• http://dx.doi.org/10.1016/0009-2614(92)80864-8