H-bonded hydroxycarbene dimer TS, wB97XD/Def2-TZVPP/SCRF=DCM, G = -228.868602 @298 and -228.840293 @20K. DG = -13.68
收藏DataCite Commons2026-04-11 更新2026-05-03 收录
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https://data.hpc.imperial.ac.uk/resolve/?doi=15860
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资源简介:
Gaussian 16 (C01) calculation
提供机构:
Imperial College London
创建时间:
2026-04-11



