Efficient Computation of Free Energy Surfaces of Diels–Alder Reactions in Explicit Solvent at Ab Initio QM/MM Level
Li, Pengfei, Liu, Fengjiao, Jia, Xiangyu, Shao, Yihan, Hu, Wenxin, Zheng, Jun, Mei, YeVolume:
23
Language:
english
Journal:
Molecules
DOI:
10.3390/molecules23102487
Date:
September, 2018
File:
PDF, 993 KB
english, 2018