Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble
收藏DataCite Commons2021-10-31 更新2024-07-03 收录
下载链接：
https://data.4tu.nl/articles/_/12680945/1
下载链接
链接失效反馈官方服务：
资源简介：
Software illustrating the algorithms outlined in the following publication: Direct Free Energy Calculation in the Continuous Fractional Component Gibbs Ensemble A. Poursaeidesfahani, A. Torres-Knoop, D. Dubbeldam, T.J.H. Vlugt Journal of Chemical Theory and Computation, 2016, 12, 1481-1490. http://pubs.acs.org/doi/abs/10.1021/acs.jctc.5b01230
提供机构：
TU Delft
创建时间：
2016-04-21
