Dario Duca

The SIESTA method applied to the study of renewable fuel synthesis

Dario Duca, Remedios Cortese, Nerina Armata, 2014 .

Empathes: A general code for nudged elastic band transition states search

Francesco Ferrante, Dario Duca, Marco Bertini, 2022, Comput. Phys. Commun..

Comparison of different theory models and basis sets in the calculation of 13C NMR chemical shifts of natural products

Giuseppe Bifulco, Paola Cimino, Dario Duca, 2004, Magnetic resonance in chemistry : MRC.

Determination of the relative stereochemistry of flexible organic compounds by Ab initio methods: conformational analysis and Boltzmann-averaged GIAO 13C NMR chemical shifts.

Giuseppe Bifulco, Giampaolo Barone, Dario Duca, 2002, Chemistry.

H-ZSM-5 modified zeolite : Quantum chemical models of acidic sites

Giampaolo Barone, Dario Duca, G. Barone, 2007 .

Structure validation of natural products by quantum-mechanical GIAO calculations of 13C NMR chemical shifts.

Giuseppe Bifulco, Giampaolo Barone, Dario Duca, 2002, Chemistry.