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

School of Arts and Sciences, Chemistry & Chemical Biology

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 (US)
Pages (from-to)	859-861
Number of pages	3
Journal	Chinese Chemical Letters
Volume	7
Issue number	9
State	Published - 1996

All Science Journal Classification (ASJC) codes

General Chemistry

Cite this

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

AU - Guo, Hong You

AU - Wang, Ping

AU - Jing, L. I.

AU - Burke, Luke A.

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IS - 9

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An oligomer approach to geometry optimization for two dimensional periodic polymers

Abstract

All Science Journal Classification (ASJC) codes

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