Entropic Path Sampling: Computational Protocol to Evaluate Entropic Profile along a Reaction Path

Qin, Zhi-Xin ; Tremblay, Matthew ; Hong, Xin ; Yang, Zhongyue J

The journal of physical chemistry letters, 2021-11, Vol.12 (43), p.10713-10719 [Periódico revisado por pares]

American Chemical Society

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