Publicly available data for “Solvation Dynamics and the Nature of Reaction Barriers and Ion-Pair Intermediates in Carbocation Reactions”
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下载链接：
https://doi.org/10.7910/DVN/TQZR7E
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资源简介：
These files contain the necessary bash and AWK scripts to execute and analyze progdynONIOM molecular dynamics trajectories, helpful documentation for use of this program, as well as geometric and energetic data for Gaussian16-calculated structures.
创建时间：
2020-06-07
