引用本文:
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.
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.
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.
An Oligomer Approach to Geometry Optimization for Two Dimensional Periodic Polymers
摘要:
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.
English
An Oligomer Approach to Geometry Optimization for Two Dimensional Periodic Polymers
Abstract:
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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