A Novel QM/MM Method Combined with the Theory of Energy Representation: Free Energy Calculation for the Beckmann Rearrangement Promoted by Proton Transfers in the Supercritical Water
A Novel QM/MM Method Combined with the Theory of Energy Representation: Free Energy Calculation for the Beckmann Rearrangement Promoted by Proton Transfers in the Supercritical Water
复制标题
结合能量表示理论的QM/MM新方法：超临界水中质子转移促进的贝克曼重排的自由能计算
DOI：
--
复制
发表时间：
2007
期刊：
影响因子：
--
通讯作者：
Nakano
中科院分区：
文献类型：
--
作者：
H.;Takahashi・K.;Tanabe・M.;Aketa・R.;Kishi・S.;Furukawa・M.;Nakano
