TSB b3lyp three THF solvent, Def2-TZVPP ΔG = -1947.171251, Dispersion stabilisation -0.2689820447

Name: TSB b3lyp three THF solvent, Def2-TZVPP ΔG = -1947.171251, Dispersion stabilisation -0.2689820447
Creator: Imperial College London
Published: 2022-09-02 16:00:21
License: 暂无描述

DataCite Commons2022-09-02 更新2025-04-16 收录

下载链接：

https://data.hpc.imperial.ac.uk/resolve/?doi=9823

下载链接

链接失效反馈

官方服务：

资源简介：

Gaussian 16 (C01) calculation. ΔΔG‡ is 16.9 kcal/mol with respect to AdCHO(-).Li(thf)3 + AdCHO (-504.078334 + -1443.120276 = -1,947.198126) ΔG‡(195) -1947.130229

提供机构：

Imperial College London

创建时间：

2021-10-26