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
Texto completo disponível