An efficient local molecular dynamics polymerization simulation combined with an ab initio MO method

Materials

Volumn 6, Issue 3, 2013, Pages 870-885

  Xie, Peng ^a   Orimoto, Yuuichi ^a   Aoki, Yuriko ^a,b  

^a KYUSHU UNIVERSITY   (Japan)

^b JAPAN SCIENCE AND TECHNOLOGY AGENCY   (Japan)

Author keywords

Elongation method; Helix forming; Hydrogen bond; Molecular dynamics

Indexed keywords

AB INITIO MO METHOD; AB INITIO MOLECULAR DYNAMICS METHODS; EFFICIENT SIMULATION; ELONGATION METHOD; MOLECULAR DYNAMICS SIMULATIONS; POLYMER SYSTEMS; POLYMERIZATION SIMULATION; PREDICTOR CORRECTOR;

ELONGATION; HYDROGEN BONDS;

MOLECULAR DYNAMICS;

EID: 84875797013     PISSN: None     EISSN: 19961944     Source Type: Journal    
DOI: 10.3390/ma6030870     Document Type: Article

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