Updated Sandmeyer: R-N=N(+)=O replacing diazonium + Cyanide (-) via benzyne B3LYP+GD3+BJ/Def2-QZVPP G = -525.258962 DG = -2.07

Imperial College Research Computing Service Data Repository 2026 Dataset Open access

Read full text
Authors: Henry Rzepa
DOI: 10.14469/hpc/15658
Cited by: 0

Publication details

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