Data for: "Concerted and Stepwise Mechanistic Domain of SNAr Reactions" (Revised)
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资源简介：
This dataset contains the log files the DFT and MP2 calculations (as text files) generated with Gaussian09 (revision D), in order to understand the transition from a stepwise to a concerted mechanism in SNAr reactions. This is a revised version of the dataset originally deposited and made available in February 2020
创建时间：
2020-05-01
