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Molecular Simulation of Hydrogen Bonds, Diels-Alder Reactions, Urethane Formation from Isocyanates andPhotochromism of Dithienylethenes byNew MOPAC2016 Hamiltonians and the Evaluation; MOPAC2016新ハミルトニアンによる水素結合,Diels-Alder 反応, イソシアネートのウレタン化反応,光異性化反応等 のシミュレーション解析と評価;
SOMEKAWA, Kenichi, UEDA, TakehikoVolume:
17
Year:
2018
Journal:
Journal of Computer Chemistry, Japan
DOI:
10.2477/jccj.2017-0069
File:
PDF, 1.74 MB
2018