Ab initio simulations of the Ag/[Al.sub.2][O.sub.3] interface at intermediate oxygen partial pressures von Passerone, D, Pignedoli, C.A, Valenza, F, Muolo, M.L, Passerone, A

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A simple approach for describing metal-supported cyclohexaphenylene dehydrogenation: hybrid classical/DFT meta-dynamics simulations von Pignedoli, C.A, Laino, T, Treier, M, Fasel, R, Passerone, D

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Kinetic Monte Carlo simulations of C diffusion on 3 × 3 β-SiC(111) based on ab initio calculations von Righi, M.C., Pignedoli, C.A., Di Felice, R., Bertoni, C.M., Catellani, A.

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Surface effects in GaN growth von Pignedoli, C.A., Di Felice, R., Bertoni, C.M.

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Kinetic Monte Carlo simulations of C diffusion on β-SiC(111) based on ab initio calculations von Righi, M.C., Pignedoli, C.A., Di Felice, R., Bertoni, C.M., Catellani, A.

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Chemisorption sites and reaction pathways for acetylene on Si(1 1 1)-(7 × 7) von Sbraccia, C., Pignedoli, C.A., Catellani, A., Di Felice, R., Silvestrelli, P.L., Toigo, F., Ancilotto, F., Bertoni, C.M.

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Acetylene on Si(111) from computer simulations von Sbraccia, C., Pignedoli, C.A., Catellani, A., Di Felice, R., Silvestrelli, P.L., Toigo, F., Ancilotto, F., Bertoni, C.M.

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First Principles Simulations of SiC-Based Interfaces von Cicero, G., Catellani, A., Righi, M.C., Pignedoli, C.A.

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Theory of Cs adsorption on InAs(1 1 0) von Calzolari, A., Pignedoli, C.A., Di Felice, R., Bertoni, C.M., Catellani, A.

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Ab initio investigation of the adsorption of organic molecules at Si(1 1 1) and Si(1 0 0) surfaces von Di Felice, R., Pignedoli, C.A., Bertoni, C.M., Catellani, A., Silvestrelli, P.L., Sbraccia, C., Ancilotto, F., Palummo, M., Pulci, O.

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First-principle investigation of the formation of Cs dimer chains upon adsorption on InAs(110) von Calzolari, A, Pignedoli, C.A, Di Felice, R, Bertoni, C.M, Catellani, A

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Interaction of Cl 2 molecules with GaAs(110) surface von Marcellini, A, Pignedoli, C.A, Ferrario, M, Bertoni, C.M

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Interaction of Cl2 molecules with GaAs(110) surface von Marcellini, A, Pignedoli, C.A, Ferrario, M, Bertoni, C.M

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