GUIDONI, Leonardo

GUIDONI, Leonardo  

Dipartimento di Scienze fisiche e chimiche  

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Risultati 1 - 20 di 106 (tempo di esecuzione: 0.023 secondi).
Titolo Data di pubblicazione Autore(i) File
A Molecular Spring for Vision 1-gen-2004 ROHRIG U., F; Guidoni, Leonardo; Laio, A; Frank, I; Rothlisberger, U.
Ab Initio Geometry and Bright Excitation of Carotenoids: Quantum Monte Carlo and Many Body Green's Function Theory Calculations on Peridinin 1-gen-2014 Coccia, Emanuele; Varsano, Daniele; Guidoni, Leonardo
Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo 1-gen-2015 Zen, A.; Luo, Y.; Mazzola, G.; Guidoni, Leonardo; Sorella, S.
Asymmetric Environmental Effects on the Structure and Vibrations of cis-[Pt(NH3)(2)Cl-2] in Condensed Phases 1-gen-2014 Zhang, Chao; Naziga Emmanuel, Baribefe; Guidoni, Leonardo
Atomistic texture of amorphous manganese oxides for electrochemical water splitting revealed by ab initio calculations combined with X-ray spectroscopy 1-gen-2015 Mattioli, G.; Zaharieva, I.; Dau, H.; Guidoni, Leonardo
Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches 1-gen-2012 Filippi, Claudia; Buda, Francesco; Guidoni, Leonardo; Sinicropi, Adalgisa
Characterization of the Sr2+- and Cd2+-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations 1-gen-2015 Pitari, Fabio; Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
Chemical and protein shifts in the spectrum of the photoactive yellow protein: a time-dependent density functional theory/molecular mechanics study 1-gen-2009 E. M., Gonzalez; Guidoni, Leonardo; C., Molteni
Competing factors on the frequency separation between the OH stretching modes in water 1-gen-2015 Zhang, C.; Guidoni, Leonardo; Kühne, T. D.
Complexation of halide ions to tyrosine: role of non-covalent interactions evidenced by IRMPD spectroscopy 1-gen-2018 Corinti, Davide; Gregori, Barbara; Guidoni, Leonardo; Scuderi, Debora; Mcmahon, Terry B.; Chiavarino, Barbara; Fornarini, Simonetta; Crestoni, Maria Elisa
Contact Ion Pairs on a Protonated Azamacrocycle: The Role of the Anion Basicity 1-gen-2016 Fraschetti, Caterina; Filippi, Antonello; Crestoni, Maria Elisa; Marcantoni, Enrico; Glucini, Marco; Guarcini, Laura; Montagna, Maria; Guidoni, Leonardo; Speranza, Maurizio
Coordination numbers of K+ and Na+ ions inside the selectivity filter of the KcsA potassium channel: Insights from first principles molecular dynamics 1-gen-2010 D., Bucher; Guidoni, Leonardo; P., Carloni; U., Röthlisberger
Copper binding sites in the C-terminal domain of mouse prion protein: a hybrid (QM/MM) molecular dynamics study 1-gen-2008 COLOMBO M., C; Vandevondele, J; Laio, A; Guidoni, Leonardo; Rothlisberger, U.
Developing Improved Charge Sets for the Modeling of the KcsA K+ Channel Using QM/MM Electrostatic Potential 1-gen-2009 D., Bucher; Guidoni, Leonardo; P., Maurer; U., Röthlisberger
Dissecting the Hydrogen Bond: A Quantum Monte Carlo Approach 1-gen-2008 Sterpone, F; Spanu, L; Ferraro, L; Sorella, S; Guidoni, Leonardo
The dynamics of the special pair of chlorophylls of Photosystem II 1-gen-2015 Narzi, Daniele; Bovi, Daniele; De Gaetano, Pietro; Guidoni, Leonardo
Early Steps of the Intramolecular Signaling Pathway in Rhodopsin Explored by Molecular Dynamics Simulations 1-gen-2002 Röhrig, U; Guidoni, Leonardo; AND RÖTHLISBERGER, U.
Early-stage formation of (hydr)oxo bridges in transition-metal catalysts for photosynthetic processes 1-gen-2021 Nakamura, Shin; Capone, Matteo; Mattioli, Giuseppe; Guidoni, Leonardo
Effects of Static Correlation between Spin Centers in Multicenter Transition Metal Complexes 1-gen-2017 Chu, Shibing; Bovi, Daniele; Cappelluti, Francesco; Orellana, Alberto Giacomo; Martin, Henry; Guidoni, Leonardo
Environmental Effects on Vibrational Properties of Carotenoids: Experiments and Calculations on Peridinin 1-gen-2011 Bovi, D; Mezzetti, A; Vuilleumier, R; Gaigeot M., P; Chazallon, B; Spezia, R; Guidoni, Leonardo