MOLECULAR DYNAMICS SIMULATION ON VIERATIONAL SPECTROSCOPIC FEATURES OF HYDROGEN BONDS IN CRYSTALLINE POLYMERS

Xiao Zhen YANG Shaw Ling HSU

引用本文: Xiao Zhen YANG,  Shaw Ling HSU. MOLECULAR DYNAMICS SIMULATION ON VIERATIONAL SPECTROSCOPIC FEATURES OF HYDROGEN BONDS IN CRYSTALLINE POLYMERS[J]. Chinese Chemical Letters, 1993, 4(7): 635-638. shu
Citation:  Xiao Zhen YANG,  Shaw Ling HSU. MOLECULAR DYNAMICS SIMULATION ON VIERATIONAL SPECTROSCOPIC FEATURES OF HYDROGEN BONDS IN CRYSTALLINE POLYMERS[J]. Chinese Chemical Letters, 1993, 4(7): 635-638. shu

MOLECULAR DYNAMICS SIMULATION ON VIERATIONAL SPECTROSCOPIC FEATURES OF HYDROGEN BONDS IN CRYSTALLINE POLYMERS

  • 基金项目:

    This project has been supported by the National Natural Science Foundation of China.

摘要: Introduction The molecular dynamics simulation technique has recently proved to be a suitable alternative approach for simulation of vibrational spectroscopy.[1-3] In this study, molecular dynamics was utilized to understand low frequency vibrations in highly ordered poly (p-phenylene terephthalmide) (PPTA).A key structural feature of this polymer is the presence of hydrogen bonds.

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  • 收稿日期:  1993-02-09
通讯作者: 陈斌, bchen63@163.com
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    沈阳化工大学材料科学与工程学院 沈阳 110142

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