Jonah Marks1, Joseph Gomes1

  • 1Department of Chemical and Biochemical Engineering University of Iowa, Iowa City, Iowa 52242, United States.

概括

本研究介绍了一种增强的结串法 (FSM),用于在化学反应中找到过渡状态. 改进的FSM显著降低了近50%的计算成本,同时实现了100%的成功率.

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