Hydrogen Recombination and Dimer Formation on Graphite from Ab Initio Molecular Dynamics Simulations von Casolo, S, Tantardini, G. F, Martinazzo, R

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Spin coupling around a carbon atom vacancy in graphene von Casartelli, M., Casolo, S., Tantardini, G. F., Martinazzo, R.

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Compact MCTDH Wave Functions for High-Dimensional System-Bath Quantum Dynamics von Bonfanti, M, Tantardini, G. F, Hughes, K. H, Martinazzo, R, Burghardt, I

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Band Engineering in Graphene with Superlattices of Substitutional Defects von Casolo, S, Martinazzo, R, Tantardini, G. F

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A few simple rules governing hydrogenation of graphene dots von Bonfanti, M., Casolo, S., Tantardini, G. F., Ponti, A., Martinazzo, R.

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Spin asymmetric band gap opening in graphene by Fe adsorption von del Castillo, E., Cargnoni, F., Achilli, S., Tantardini, G.F., Trioni, M.I.

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Hot-atom versus Eley-Rideal dynamics in hydrogen recombination on Ni(100). I. The single-adsorbate case von Martinazzo, R, Assoni, S, Marinoni, G, Tantardini, G F

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Accurate potential energy surfaces for the study of lithium–hydrogen ionic reactions von Martinazzo, R., Tantardini, G. F., Bodo, E., Gianturco, F. A.

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A dynamical study of the chemisorption of molecular hydrogen on the Cu(111) surface von Forni, A, Wiesenekker, G, Baerends, E J, Tantardini, G F

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Oxygen adsorption on Ag(110): density functional theory band structure calculations and dynamical simulations von Pazzi, Vittoria Isabella, Philipsen, Pierre Herman Theodoor, Baerends, Evert Jan, Tantardini, Gian Franco

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A Monte Carlo quasi-classical trajectories study of the chemisorption of hydrogen on the W(001) surface von Forni, A., Desjonquères, M.C., Spanjaard, D., Tantardini, G.F.

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Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. I. H-chemisorbed case von Martinazzo, Rocco, Tantardini, Gian Franco

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Quantum study of Eley-Rideal reaction and collision induced desorption of hydrogen atoms on a graphite surface. II. H-physisorbed case von Martinazzo, Rocco, Tantardini, Gian Franco

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EHT study of hydrogen chemisorption on Pt-Au(111) bimetallic clusters von Casalone, G., Merati, F., Tantardini, G.F.

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Spin coupling around a carbon atom vacancy in graphene von Casartelli, M, Casolo, S, Tantardini, G F, Martinazzo, R

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SCF MO pseudopotential studies of chemisorption. The Pd(111)/CO system, with an optimized Pd pseudopotential von Gavezzotti, A., Tantardini, G.F., Simonetta, M.

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Quantum Effects in an Exoergic, Barrierless Reaction at High Collision Energies von Martinazzo, Rocco, Tantardini, Gian Franco

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Adsorption of hydrogen on zinc—calculation of potential energy surface and dynamics von Cremaschi, P, Tantardini, G.F., Muilu, J, Pakkanen, T.A.

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Dynamical simulations of the oxygen adsorption on the Ag(110) surface von Pazzi, Vittoria Isabella, Tantardini, Gian Franco

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Dynamical study of the adsorption of hydrogen on the W(001) surface von Forni, A., Desjonquères, M.C., Spanjaard, D., Tantardini, G.F.

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