2017

First principles study of 2D layered organohalide tin perovskites

Fraccarollo, Alberto; Canti, Lorenzo; Marchese, Leonardo; Cossi, Maurizio

The Journal of Chemical Physics 21, 146 - 2017

DOI - 10.1063/1.4985054

Accurate Evaluation of the Dispersion Energy in the Simulation of Gas Adsorption into Porous Zeolites

Cossi, Maurizio; Canti, Lorenzo; Fraccarollo, Alberto; Marchese, Leonardo

Journal of Chemical Theory and Computation 13, 4 -2017

DOI - 10.1021/acs.jctc.6b01021

An atomistic model of a disordered nanoporous solid: Interplay between Monte Carlo simulations and gas adsorption experiments

Canti, Lorenzo; Fraccarollo, Alberto; Gatti, Giorgio; Errahali, Mina; Marchese, Leonardo; Cossi, Maurizio

AIP Advances 7, 4-2017

DOI - 10.1063/1.4982069

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