DFT Study on mechanochemical bond breaking in COGEF and Molecular Dynamics simulations. - Bartlomiej M. Szyja; Evgeny Pidko; Ramon Groote; Emiel Hensen; Rint Sijbesma (ICCS, 2011)

HiREX: High-Throughput Reactivity Exploration for Extended Databases of Transition-Metal Catalysts. - Ali Hashemi; Sana Bougueroua; Marie-Pierre Gaigeot; Evgeny Pidko (J. Chem. Inf. Model., 2023)