An oligomer approach to geometry optimization for two dimensional periodic polymers

Hong You Guo; Ping Wang; L. I. Jing; Luke A. Burke

An oligomer approach to geometry optimization for two dimensional periodic polymers

Hong You Guo, Ping Wang, L. I. Jing, Luke A. Burke

Rutgers University

Research output: Contribution to journal › Article › peer-review

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.

Original language	English
Pages (from-to)	859-861
Number of pages	3
Journal	Chinese Chemical Letters
Volume	7
Issue number	9
Publication status	Published - 1996

ASJC Scopus subject areas

Chemistry(all)

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title = "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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year = "1996",

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journal = "Chinese Chemical Letters",

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T1 - An oligomer approach to geometry optimization for two dimensional periodic polymers

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AU - Wang, Ping

AU - Jing, L. I.

AU - Burke, Luke A.

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