Monte-Carlo model for the hydrogenation of alkenes on metal catalyst. - Dario Duca; Péter Baranyai; Tamás Vidóczy (J. Comput. Chem., 1998)

SCSA Code: Applications on the Cyclopeptide Renieramide. - Dario Duca; Giuseppe Bifulco; Giampaolo Barone; Agostino Casapullo; Alberta Fontana (J. Chem. Inf. Model., 2004)

IDEA: Interface dynamics and energetics algorithm. - Dario Duca; Giampaolo Barone; Sergio Giuffrida; Zs. Varga (J. Comput. Chem., 2007)

Adsorbed CO on Group 10 Metal Fragments: A DFT Study. - Sergio Giuffrida; Giampaolo Barone; Dario Duca (J. Chem. Inf. Model., 2009)

Empathes: A general code for nudged elastic band transition states search. - Marco Bertini 002; Francesco Ferrante; Dario Duca (Comput. Phys. Commun., 2022)

Alternative Algebraic Perspectives on CO/H2 PROX over MnO2 Composite Catalysts. - Marco Bertini 002; Francesco Ferrante; Laura Gueci; Antonio Prestianni; Dario Duca; Francesco Arena; Dmitry Yu Murzin (J. Chem. Inf. Model., 2025)