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Physical Chemistry Chemical Physics : PCCP|August 5, 2011
A DFT study of IRMOF-3 catalysed Knoevenagel condensationRemedios Cortese, Dario Duca
The Journal of Physical Chemistry. A|May 13, 2009
Cation environment of BaCeO(3)-based protonic conductors: a computational studyAntonio Cammarata, Antonino Martorana, Dario Duca
ACS Omega|September 26, 2019
Hydrogen Arrangements on Defective <i>Quasi</i>-Molecular BN FragmentsRemedios Cortese, Dario Campisi, Dario Duca
Chemistry, an Asian Journal|May 10, 2012
Y:BaZrO3 perovskite compounds II: designing protonic conduction by using MD modelsAntonio Cammarata, Antonio Emanuele, Dario Duca
Journal of Chemical Information and Modeling|May 2, 2009
Adsorbed CO on group 10 metal fragments: a DFT studySergio Giuffrida, Giampaolo Barone, Dario Duca
The Journal of Physical Chemistry. A|February 15, 2011
Cation environment of BaCeO3-based protonic conductors II: new computational modelsAntonio Cammarata, Antonio Emanuele, Antonino Martorana, et al.
Chemistry, an Asian Journal|May 10, 2012
Y:BaZrO3 perovskite compounds I: DFT study on the unprotonated and protonated local structuresAntonio Cammarata, Pablo Ordejón, Antonio Emanuele, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 24, 2015
N-doped carbon networks: alternative materials tracing new routes for activating molecular hydrogenRemedios Cortese, Francesco Ferrante, Stefan Roggan, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry|November 20, 2012
Alkali-metal azides interacting with metal-organic frameworksNerina Armata, Remedios Cortese, Dario Duca, et al.
Physical Chemistry Chemical Physics : PCCP|May 15, 2009
DFT studies on catalytic properties of isolated and carbon nanotube supported Pd(9) cluster-I: adsorption, fragmentation and diffusion of hydrogenVincenza D'Anna, Dario Duca, Francesco Ferrante, et al.
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