Theoretical description of dihydrogen/hydride and trihydride molybdocene complexes: An insight from static and molecular dynamics simulations. - Lukasz Piekos; Mariusz Pawel Mitoraj (J. Comput. Chem., 2013)

Nature of the water/aromatic parallel alignment interactions. - Mariusz Pawel Mitoraj; Goran V. Janjic; Vesna B. Medakovic; Dusan Z. Veljkovic; Artur Michalak; Snezana D. Zaric; Milos K. Milcic (J. Comput. Chem., 2015)

On the Stability of Cis- and Trans-2-Butene Isomers. An Insight Based on the FAMSEC, IQA, and ETS-NOCV Schemes. - Ignacy Cukrowski; Filip Sagan; Mariusz Pawel Mitoraj (J. Comput. Chem., 2016)