Ring polymer molecular dynamics fast computation of rate coefcientson accurate potential energy surfaces in local confguration space:Application to the abstraction of hydrogen from methane

Ring polymer molecular dynamics fast computation of rate coefcientson accurate potential energy surfaces in local confguration space:Application to the abstraction of hydrogen from methane
复制标题

环聚合物分子动力学局部构型空间精确势能面速率系数的快速计算:在从甲烷中提取氢中的应用

DOI:
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发表时间:
2016
影响因子:
4.4
通讯作者:
Dong H. Zhang
Dong H. Zhang
中科院分区:
化学2区
文献类型:
--
作者:
Qingyong Meng;Jun Chen;Dong H. Zhang

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