FCOH, wB97XD/Def2-TZVPP/SCRF=DCM, IRC Separated reactant -427.489741( G = -213.739767, 2G =-427.479534)

Imperial College Research Computing Service Data Repository 2026 Dataset Open access

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Authors: Henry Rzepa
DOI: 10.14469/hpc/15865
Cited by: 2

Publication details

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