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Chaoyuan Zhu1,2
1State Key Laboratory of Physical Chemistry of Solid Surfaces and Fujian Provincial Key Laboratory of Theoretical and Computational Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 360015, China.
这项研究比较了兰道-泽纳和朱-纳卡穆拉切换概率来模拟非adiabatic动态. 这两种方法都精确地模拟了使用飞行轨迹表面跳跃分子动态的亚博烯光异构化.
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