An oligomer approach to geometry optimization for two dimensional periodic polymers

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

Research output: Contribution to journalArticle

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 languageEnglish
Pages (from-to)859-861
Number of pages3
JournalChinese Chemical Letters
Volume7
Issue number9
Publication statusPublished - 1996

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ASJC Scopus subject areas

  • Chemistry(all)

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