Bergmann cyclisation, (CH2)5 reactant ==> + H atom ==> TS3 cyclisation G = -426.660194 (-659.375211) IRC

Name: Bergmann cyclisation, (CH2)5 reactant ==> + H atom ==> TS3 cyclisation G = -426.660194 (-659.375211) IRC
Creator: Imperial College London
Published: 2024-08-24 08:00:38
License: 暂无描述

DataCite Commons2024-08-24 更新2025-04-16 收录

下载链接：

https://data.hpc.imperial.ac.uk/resolve/?doi=14577

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资源简介：

Gaussian 16 (C01) calculation

高斯16（Gaussian 16）C01版本计算

提供机构：

Imperial College London

创建时间：

2024-08-20

Bergmann cyclisation, (CH2)5 reactant ==&gt; + H atom ==&gt; TS3 cyclisation G = -426.660194 (-659.375211) IRC

Bergmann cyclisation, (CH2)5 reactant ==> + H atom ==> TS3 cyclisation G = -426.660194 (-659.375211) IRC