Data for: "Concerted and Stepwise Mechanistic Domain of SNAr Reactions"
收藏DataCite Commons2020-07-31 更新2025-04-17 收录
下载链接：
https://pureportal.strath.ac.uk/en/datasets/289a4204-12ff-4ead-9490-d11fac96f645
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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.
提供机构：
University of Strathclyde
创建时间：
2020-02-19
