B3LYP/Def2-TZVPP, GD3BJ, TS chair Me trans with Me equatorial, alt face of alkene, G = -1490.348195 (-1490.348147 trans with Me ax , -1490.350932 Me cis/eq ) ==> IRC
收藏Mendeley Data2024-05-01 更新2024-06-27 收录
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https://data.hpc.imperial.ac.uk/resolve/?doi=13868
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资源简介：
Gaussian 16 (C01) calculation
创建时间：
2024-02-24
