Bergmann cyclisation, (CH2)4 reactant ==> + H atom Int1, B3LYP+GD3+BJ G = -387.561720 (-620.386597)

Name: Bergmann cyclisation, (CH2)4 reactant ==> + H atom Int1, B3LYP+GD3+BJ G = -387.561720 (-620.386597)
Creator: Imperial College London
Published: 2024-08-24 08:00:38
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DataCite Commons2024-08-24 更新2025-04-16 收录

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https://data.hpc.imperial.ac.uk/resolve/?doi=14574

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资源简介：

Gaussian 16 (C01) calculation

高斯16（Gaussian 16）C01计算

提供机构：

Imperial College London

创建时间：

2024-08-19

Bergmann cyclisation, (CH2)4 reactant ==&gt; + H atom Int1, B3LYP+GD3+BJ G = -387.561720 (-620.386597)

Bergmann cyclisation, (CH2)4 reactant ==> + H atom Int1, B3LYP+GD3+BJ G = -387.561720 (-620.386597)