Oxalic acid diamide, dianion, G = -495.809238 C=C stretch TS G = -495.746619, DG = 39.3 tight -495.746706

Imperial College Research Computing Service Data Repository 2026 Dataset Open access

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Authors: Henry S. Rzepa
DOI: 10.14469/hpc/15677
Cited by: 0

Fields of Study & Subjects

Advanced Chemical Physics Studies Chemical Reaction Mechanisms Spectroscopy and Quantum Chemical Studies

Publication details

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