Journal of the American Chemical Society

Exact Hueckel molecular orbitals of the finite, square-cut, fcc crystal

L Salem, C Leforestier

Index: Salem, L.; Leforestier, C. Journal of the American Chemical Society, 1985 , vol. 107, # 8 p. 2526 - 2528

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Abstract

Abstract: The exact Hiickel molecular orbitals of the finite, square-cut, FCC crystal are derived from the molecular orbitals of a" master", finite, cubic crystal by constructing the former from the latter by crossing out a series of atoms analogous to the starred atoms of an alternant hydrocarbon.