Citation: Ming Dan CHEN. FULLERENE GEOMETRY PREDICTION WITH MOLECULAR MECHANICS CALCULATIONS[J]. Chinese Chemical Letters, ;1993, 4(2): 149-152. shu

FULLERENE GEOMETRY PREDICTION WITH MOLECULAR MECHANICS CALCULATIONS

Ming Dan CHEN

Department of Chemistry, Xiamen University Xiamen, 361005

Received Date: 3 July 1992

Fund Project: I thank Professor Sheng Zhi HU, Department of Chemistry, Xiamen University, for discussing and modifying this manuscript. Thanks are also due to Professor Nan Qin WANG and Professor Lan Sun ZHENG, Department of chemistry, Xiamen University, for helpful comments and encouragement.

A serial of fullerenes had been built and the optimized geometries had been obtained with the energy minimization of molecular mechanics calculations according to the fact that the pentagonal number is exactly 12 in the fullerenes which consist of pentagons and hexagons.The fullerene geometry prediction could facilitate further theoretical and synthetical studies in the near future.
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