H-bonded hydroxycarbene dimer TS, wB97XD/Def2-TZVPP/SCRF=DCM, G = -228.868602 @298 and -228.840293 @20K. DG = -13.68

Imperial College Research Computing Service Data Repository 2026 Dataset Open access

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Authors: Henry Rzepa
DOI: 10.14469/hpc/15860
Cited by: 2
References: 1

Publication details

Journal / source
Imperial College Research Computing Service Data Repository
Publication date
1 January 2026
Document type
Dataset