Concerted versus stepwise proton transfer reactions in the [2, 2′-bipyridyl]-3-3′-diol molecule: A static and dynamic ab-initio investigation.
Lorenzo Briccolani-BandiniÉric BrémondMarco PagliaiGianni CardiniIlaria CiofiniCarlo AdamoPublished in: J. Comput. Chem. (2023)