Sfoglia per Autore
Valence-Bond states in dynamical Jahn-Teller Molecular systems
1997-01-01 Santoro, G; Guidoni, Leonardo; Parola, A; Tosatti, E.
Phase separation in the 2D Hubbard model: a fixed-node quantum Monte Carlo study
1998-01-01 Cosentini, A. C.; Capone, M; Guidoni, Leonardo; Bachelet, G. B.
Spin gap in low-dimensional Mott insulators with orbital degeneracy
1999-01-01 Guidoni, Leonardo; Santoro, G; Sorella, S; Parola, A; AND TOSATTI, E.
Spin liquid ground state in a two dimensional non-frustrated spin model
1999-01-01 Santoro, G; Sorella, S; Guidoni, Leonardo; Parola, A; AND TOSATTI, E.
Potassium and sodium binding to the outer mouth of the K+ channel
1999-01-01 Guidoni, Leonardo; Torre, V; AND CARLONI, P.
Water and potassium dynamics inside the KcsA K+ channel
2000-01-01 Guidoni, Leonardo; Torre, V; AND CARLONI, P.
Hybrid Car-Parrinello/Molecular Mechanics Modelling of Transition Metal Complexes: Structure, Dynamics and Reactivity
2002-01-01 Guidoni, Leonardo; Maurer, P; Piana, S; AND RÖTHLISBERGER, U.
Hybrid QM/MM Car-Parrinello Simulations of Catalytic and Enzymatic Reactions
2002-01-01 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
2002-01-01 Guidoni, Leonardo; Carloni, P.
Potassium permeation through the KcsA channel: a density functional study
2002-01-01 Guidoni, Leonardo; Carloni, P.
Early Steps of the Intramolecular Signaling Pathway in Rhodopsin Explored by Molecular Dynamics Simulations
2002-01-01 Röhrig, U; Guidoni, Leonardo; AND RÖTHLISBERGER, U.
Multiple Steering Molecular Dynamics Applied to Water at Alkali Ions
2002-01-01 Cascella, M; Guidoni, Leonardo; Maritan, A; Rothlisberger, U; AND CARLONI, P.
QM/MM Study of Rhodopsin
2003-01-01 Röhrig, U; Nonnenberg, C; Frank, I; Guidoni, Leonardo; AND RÖTHLISBERGER, U.
Green Oxidation Catalysts: Computational Design of High-Efficiency Models of Galactose Oxidase
2004-01-01 Guidoni, Leonardo; Spiegel, K; Zumstein, M; AND ROTHLISBERGER, U.
A Molecular Spring for Vision
2004-01-01 Rohrig, U. F.; Guidoni, Leonardo; Laio, A; Frank, I; Rothlisberger, U.
Scanning Reactive Pathways with Orbital Biased Molecular Dynamics
2005-01-01 Guidoni, Leonardo; Rothlisberger, U.
Experimental and theoretical study of intramolecular exchange in Ir2Rh2(CO)12 and Ir4(CO)11(m-SO2)
2005-01-01 Beni, Z; Guidoni, Leonardo; Laurenczy, G; Röthlisberger, U; AND ROULET, R.
QM/MM Simulation of the first step of vision
2005-01-01 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
2005-01-01 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
2005-01-01 Röhrig, U; Guidoni, Leonardo; AND ROTHLISBERGER, U.
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. |
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