A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum–classical approximation. II. Proton transfer reaction in non-polar solvent
A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum–classical approximation. II. Proton transfer reaction in non-polar solvent
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基于非极性溶剂中混合量子经典近似的丙二醛分子内质子转移反应的分子动力学研究。
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发表时间:
2015
期刊:
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通讯作者:
Susumu Okazakia
中科院分区:
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作者:
Atsushi Yamada;Hidekazu Kojima;Susumu Okazakia