引用本文:
Ming Dan CHEN. FULLERENE GEOMETRY PREDICTION WITH MOLECULAR MECHANICS CALCULATIONS[J]. Chinese Chemical Letters,
1993, 4(2): 149-152.
Citation: Ming Dan CHEN. FULLERENE GEOMETRY PREDICTION WITH MOLECULAR MECHANICS CALCULATIONS[J]. Chinese Chemical Letters, 1993, 4(2): 149-152.
Citation: Ming Dan CHEN. FULLERENE GEOMETRY PREDICTION WITH MOLECULAR MECHANICS CALCULATIONS[J]. Chinese Chemical Letters, 1993, 4(2): 149-152.
FULLERENE GEOMETRY PREDICTION WITH MOLECULAR MECHANICS CALCULATIONS
摘要:
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.
English
FULLERENE GEOMETRY PREDICTION WITH MOLECULAR MECHANICS CALCULATIONS
Abstract:
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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