Development of a COSMO-SAC Parametrization with Advanced QM Method TZVPD-FINE
基于先进量子力学方法 TZVPD-FINE 的 COSMO-SAC 参数化开发
期刊:Industrial & Engineering Chemistry Research
影响因子:3.9
doi:10.1021/acs.iecr.5c01146
de Souza, Edgar T Jr; Alcantara, Murilo L; Staudt, Paula B; Coutinho, João A P; Soares, Rafael de P
