A Quantum Chemical Study on the Relative Stability of Diaminodinitroethylene Isomers
Krzysztof K. Zborowski & Urszula Lelek-Borkowska · Organics · 2026
This study aims to investigate the relative stability of the diaminodinitroethylene isomers (cis, trans, and gem). To achieve this goal, calculations at several levels of theory were carried out. The B3LYP, PBE0, and CAM-B3LYP functionals, based on density functional theory (DFT)...
Open access
Research Article
10.3390/org7010008