Reactions dynamics for X + H2 insertion reactions (X = C(1D), N(2D), O(1D), S(1D)) with Cayley propagator ring-polymer molecular dynamics.

Autor: Jiang, Wenbin1 (AUTHOR), Chen, Yuhao1 (AUTHOR), Li, Yongle1,2 (AUTHOR) yongleli@shu.edu.cn
Zdroj: Journal of Chemical Physics. 6/21/2024, Vol. 160 Issue 23, p1-13. 13p.
Databáze: Academic Search Ultimate