Comparison of the United- and All-Atom Representations of (Halo)alkanes Based on Two Condensed-Phase Force Fields Optimized against the Same Experimental Data Set.
基于针对同一实验数据集优化的两种凝聚相力场，对（卤代）烷烃的联合原子表示和全原子表示进行比较
期刊:Journal of Chemical Theory and Computation
影响因子:5.5
doi:10.1021/acs.jctc.2c00524
Oliveira Marina P, Gonçalves Yan M H, Ol Gheta S Kashef, Rieder Salomé R, Horta Bruno A C, Hünenberger Philippe H
