Oxalic acid diamide, dianion, G = -495.809238 rotation of one amide group TS G = -495.801907, DG 4.6

Imperial College Research Computing Service Data Repository 2026 Dataset Open access

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Authors: Henry S. Rzepa
DOI: 10.14469/hpc/15675
Cited by: 0

Fields of Study & Subjects

Advanced Chemical Physics Studies Chemical Reaction Mechanisms Advanced Physical and Chemical Molecular Interactions

Publication details

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