Sfoglia per Autore
The dynamics of the special pair of chlorophylls of Photosystem II
2015-01-01 Narzi, Daniele; Bovi, Daniele; De Gaetano, Pietro; Guidoni, Leonardo
Characterization of the Sr2+- and Cd2+-Substituted Oxygen-Evolving Complex of Photosystem II by Quantum Mechanics/Molecular Mechanics Calculations
2015-01-01 Pitari, Fabio; Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
Reorganization of Substrate Waters between the Closed and Open Cubane Conformers during the S2 to S3 Transition in the Oxygen Evolving Complex
2015-01-01 Capone, M.; Bovi, Daniele; Narzi, Daniele; Guidoni, Leonardo
Vibrational fingerprints of the Mn4CaO5 cluster in Photosystem II by mixed quantum-classical molecular dynamics
2016-01-01 Bovi, Daniele; Capone, Matteo; Narzi, Daniele; Guidoni, Leonardo
Mechanism of Water Delivery to the Active Site of Photosystem II along the S(2) to S(3) Transition
2016-01-01 Capone, Matteo; Narzi, Daniele; Bovi, Daniele; Guidoni, Leonardo
Structural and vibrational study of 2-MethoxyEthylAmmonium Nitrate (2-OMeEAN): Interpretation of experimental results with ab initio molecular dynamics
2016-01-01 Campetella, M; Bovi, Daniele; Caminiti, R; Guidoni, Leonardo; Bencivenni, L; Gontrani, L.
Mechanism of Water Delivery to the Active Site of Photosystem II along the S2 to S3 Transition
2016-01-01 Capone, Matteo; Narzi, Daniele; Bovi, Daniele; Guidoni, Leonardo
QM/MM dynamics of a Peridinin model in triplet state in three prototypical solvents
2016-01-01 Bovi, Daniele; Mezzetti, Alberto; Guidoni, Leonardo
A Spotlight on the Compatibility between XFEL and Ab Initio Structures of the Oxygen Evolving Complex in Photosystem II
2017-01-01 Narzi, Daniele; Mattioli, Giuseppe; Bovi, Daniele; Guidoni, Leonardo
Effects of Static Correlation between Spin Centers in Multicenter Transition Metal Complexes
2017-01-01 Chu, Shibing; Bovi, Daniele; Cappelluti, Francesco; Orellana, Alberto Giacomo; Martin, Henry; Guidoni, Leonardo
Evolution from S3 to S4 States of the Oxygen-Evolving Complex in Photosystem II Monitored by Quantum Mechanics/Molecular Mechanics (QM/MM) Dynamics
2018-01-01 Narzi, Daniele; Capone, Matteo; Bovi, Daniele; Guidoni, Leonardo
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