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Mostrati risultati da 1 a 20 di 110
Titolo Data di pubblicazione Autore(i) File
Valence-Bond states in dynamical Jahn-Teller Molecular systems 1-gen-1997 Santoro, G; Guidoni, Leonardo; Parola, A; Tosatti, E.
Phase separation in the 2D Hubbard model: a fixed-node quantum Monte Carlo study 1-gen-1998 Cosentini, A. C.; Capone, M; Guidoni, Leonardo; Bachelet, G. B.
Spin gap in low-dimensional Mott insulators with orbital degeneracy 1-gen-1999 Guidoni, Leonardo; Santoro, G; Sorella, S; Parola, A; AND TOSATTI, E.
Spin liquid ground state in a two dimensional non-frustrated spin model 1-gen-1999 Santoro, G; Sorella, S; Guidoni, Leonardo; Parola, A; AND TOSATTI, E.
Potassium and sodium binding to the outer mouth of the K+ channel 1-gen-1999 Guidoni, Leonardo; Torre, V; AND CARLONI, P.
Water and potassium dynamics inside the KcsA K+ channel 1-gen-2000 Guidoni, Leonardo; Torre, V; AND CARLONI, P.
Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure, Dynamics and Reactivity 1-gen-2002 Guidoni, Leonardo; Maurer, P; Piana, S; AND RÖTHLISBERGER, U.
Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions 1-gen-2002 Colombo, M. C.; Guidoni, Leonardo; Laio, A; Magistrato, A; Maurer, P; Piana, S; Röhrig, U; Spiegel, K; Sulpizi, M; Vandevondele, J; Zumstein, M; AND ROTHLISBERGER, U.
Tetraethylammonium binding to the outer mouth of the KcsA potassium channel: implications for ion permeation 1-gen-2002 Guidoni, Leonardo; Carloni, P.
Potassium permeation through the KcsA channel: a density functional study 1-gen-2002 Guidoni, Leonardo; Carloni, P.
Early Steps of the Intramolecular Signaling Pathway in Rhodopsin Explored by Molecular Dynamics Simulations 1-gen-2002 Röhrig, U; Guidoni, Leonardo; AND RÖTHLISBERGER, U.
Multiple Steering Molecular Dynamics Applied to Water at Alkali Ions 1-gen-2002 Cascella, M; Guidoni, Leonardo; Maritan, A; Rothlisberger, U; AND CARLONI, P.
QM/MM Study of Rhodopsin 1-gen-2003 Röhrig, U; Nonnenberg, C; Frank, I; Guidoni, Leonardo; AND RÖTHLISBERGER, U.
Green Oxidation Catalysts: Computational Design of High-Efficiency Models of Galactose Oxidase 1-gen-2004 Guidoni, Leonardo; Spiegel, K; Zumstein, M; AND ROTHLISBERGER, U.
A Molecular Spring for Vision 1-gen-2004 Rohrig, U. F.; Guidoni, Leonardo; Laio, A; Frank, I; Rothlisberger, U.
Scanning Reactive Pathways with Orbital Biased Molecular Dynamics 1-gen-2005 Guidoni, Leonardo; Rothlisberger, U.
Experimental and theoretical study of intramolecular exchange in Ir2Rh2(CO)12 and Ir4(CO)11(m-SO2) 1-gen-2005 Beni, Z; Guidoni, Leonardo; Laurenczy, G; Röthlisberger, U; AND ROULET, R.
QM/MM Simulation of the first step of vision 1-gen-2005 Röhrig, U; Grimm, S; Frank, I; Guidoni, Leonardo; Laio, A; AND RÖTHLISBERGER, U.
Quantum Mechanical/Molecular Mechanical (QM/MM) Car-Parrinello Simulations in Excited States 1-gen-2005 Moret, M. E.; Tapavizca, E; Guidoni, Leonardo; Roehrig, U; Sulpizi, M; Taverneli, I; AND ROTHLISBERGER, U.
Solvent and protein effects on the structure and dynamics of the rhodopsin chromophore 1-gen-2005 Röhrig, U; Guidoni, Leonardo; AND ROTHLISBERGER, U.
Mostrati risultati da 1 a 20 di 110
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