B3LYP/Def2-TZVPP, GD3BJ, TS chair , cis alt pi-face from CO2Et structure TS ==> 2nd step G=-1718.296019

Name: B3LYP/Def2-TZVPP, GD3BJ, TS chair , cis alt pi-face from CO2Et structure TS ==> 2nd step G=-1718.296019
Creator: Imperial College London
Published: 2024-10-01 09:00:43
License: 暂无描述

DataCite Commons2024-10-01 更新2025-04-16 收录

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https://data.hpc.imperial.ac.uk/resolve/?doi=14290

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资源简介：

Gaussian 16 (C01) calculation

高斯16（Gaussian 16）C01版计算

提供机构：

Imperial College London

创建时间：

2024-05-24

B3LYP/Def2-TZVPP, GD3BJ, TS chair , cis alt pi-face from CO2Et structure TS ==&gt; 2nd step G=-1718.296019

B3LYP/Def2-TZVPP, GD3BJ, TS chair , cis alt pi-face from CO2Et structure TS ==> 2nd step G=-1718.296019