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.
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.
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.
MOLECULAR DYNAMICS SIMULATION ON VIERATIONAL SPECTROSCOPIC FEATURES OF HYDROGEN BONDS IN CRYSTALLINE POLYMERS
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.
English
MOLECULAR DYNAMICS SIMULATION ON VIERATIONAL SPECTROSCOPIC FEATURES OF HYDROGEN BONDS IN CRYSTALLINE POLYMERS
Abstract:
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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