Data for: "Computational Study on the Boundary Between the Concerted and Stepwise Mechanism of Bimolecular SNAr Reactions" (2nd Revision)

Name: Data for: "Computational Study on the Boundary Between the Concerted and Stepwise Mechanism of Bimolecular SNAr Reactions" (2nd Revision)
Creator: University of Strathclyde
Published: 2020-06-08T10:16:03+08:00

DataCite Commons2020-08-01 更新2025-04-17 收录

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数据链接：

https://pureportal.strath.ac.uk/en/datasets/254ecae8-9c72-4bb9-9319-b16eada94f9c 数据链接链接失效反馈

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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 May 2020

提供机构：

University of Strathclyde

创建时间：

2020-06-08