Citation: Hong You GUO, Ping WANG, Jing LI, Luke A. BURKE. An Oligomer Approach to Geometry Optimization for Two Dimensional Periodic Polymers[J]. Chinese Chemical Letters, ;1996, 7(9): 859-861. shu

An Oligomer Approach to Geometry Optimization for Two Dimensional Periodic Polymers

a Department of Applied Chemistry, Beijing University of Chemical Technology, Beijing 100029;
b Departmeni of Chemistry, Rutgers University, Camden, NJ 08102 USA

Received Date: 9 January 1996

The oligomer approach used in geometry optimization for two dimensional polymers and crystals has been developed. Geometry optimization for planar π-conjugated system, graphite, with the oligomer approach has been performed at AM1 level and the result is in good agreement with the experimental.
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