Sfoglia per Autore
Allosteric pathways in imidazole glycerol phosphate synthase
2012 Rivalta, Ivan*; Sultan, Mohammad M.; Lee, Ning-Shiuan; Manley, Gregory A.; Loria, J. Patrick; Batista, Victor S.
Oxomanganese complexes for natural and artificial photosynthesis
2012 Rivalta, Ivan; Brudvig, Gary W; Batista, Victor S*
Computational Studies of the Oxygen-Evolving Complex of Photosystem II and Biomimetic Oxomanganese Complexes for Renewable Energy ApplicationsApplications of Molecular Modeling to Challenges in Clean Energy
2013 Ivan Rivalta;Gary W. Brudvig;Victor S. Batista
Electrostatic effects on proton coupled electron transfer in oxomanganese complexes inspired by the oxygen-evolving complex of photosystem II
2013 Amin, Muhamed; Vogt, Leslie; Vassiliev, Serguei; Rivalta, Ivan; Sultan, Mohammad M.; Bruce, Doug; Brudvig, Gary W.; Batista, Victor S.*; Gunner, M.R.
Spectral tuning of ultraviolet cone pigments: An interhelical lock mechanism
2013 Sekharan, Sivakumar*; Mooney, Victoria L.; Rivalta, Ivan; Kazmi, Manija A.; Neitz, Maureen; Neitz, Jay; Sakmar, Thomas P.; Yan, Elsa C. Y.; Batista, Victor S.
Characterization of an amorphous iridium water-oxidation catalyst electrodeposited from organometallic precursors
2013 Blakemore, James D.; Mara, Michael W.; Kushner-Lenhoff, Maxwell N.; Schley, Nathan D.; Konezny, Steven J.; Rivalta, Ivan; Negre, Christian F. A.; Snoeberger, Robert C.; Kokhan, Oleksandr; Huang, Jier; Stickrath, Andrew; Tran, Lan Anh; Parr, Maria L.; Chen, Lin X.; Tiede, David M.; Batista, Victor S.; Crabtree, Robert H.; Brudvig, Gary W.
Solution NMR and computational methods for understanding protein allostery
2013 Manley, Gregory; Rivalta, Ivan; Loria, J. Patrick
Facile ecofriendly synthesis of monastrol and its structural isomers via biginelli reaction
2014 Oliverio, Manuela; Costanzo, Paola; Nardi, Monica; Rivalta, Ivan; Procopio, Antonio*
Ab initio simulations of two-dimensional electronic spectra: The SOS//QM/MM approach
2014 Ivan Rivalta; Artur Nenov; Giulio Cerullo; Shaul Mukamel; Marco Garavelli
Tracking Conformational Dynamics of Polypeptides by Nonlinear Electronic Spectroscopy of Aromatic Residues: A First-Principles Simulation Study
2014 Artur Nenov;Silvio a Beccara;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli
Structural Studies of Oxomanganese Complexes for Water Oxidation Catalysis
2014 Rivalta, Ivan*; Brudvig, Gary W.; Batista, Victor S.
Modelling Time-Resolved Two-Dimensional Electronic Spectroscopy of the Primary Photoisomerization Event in Rhodopsin
2014 Ivan Rivalta;Artur Nenov;Oliver Weingart;Giulio Cerullo;Marco Garavelli;Shaul Mukamel
Modelling retinal chromophores photoisomerization: from minimal models in vacuo to ultimate bidimensional spectroscopy in rhodopsins
2014 Ivan Rivalta;Artur Nenov;Marco Garavelli
Bidimensional electronic spectroscopy on indole in gas phase and in water from first principles
2014 Artur Nenov;Ivan Rivalta;Shaul Mukamel;Marco Garavelli
Disentangling Peptide Configurations via Two-Dimensional Electronic Spectroscopy: Ab Initio Simulations Beyond the Frenkel Exciton Hamiltonian
2014 Artur Nenov;Ivan Rivalta;Giulio Cerullo;Shaul Mukamel;Marco Garavelli
Modeling the high-energy electronic state manifold of adenine: Calibration for nonlinear electronic spectroscopy
2015 Nenov, A.; Giussani, A.; Segarra-Marti, J.; Jaiswal, V.K.; Rivalta, I.; Cerullo, G.; Mukamel, S.; Garavelli, M.
Soft X-ray Spectroscopic Properties of Ruthenium Complex Catalyst under CO2 Electrochemical Reduction Conditions: A First-Principles Study
2015 Sánchez-De-Armas, Rocío*; Brena, Barbara; Rivalta, Ivan; Araujo, C. Moyses
Spectral lineshapes in nonlinear electronic spectroscopy
2015 Nenov, Artur; Giussani, Angelo; Fingerhut, Benjamin P.; Rivalta, Ivan; Dumont, Elise; Mukamel, Shaul; Garavelli, Marco
Triplet Oxygen Evolution Catalyzed by a Biomimetic Oxomanganese Complex: Functional Role of the Carboxylate Buffer
2015 Rivalta, Ivan; Yang, Ke R.; Brudvig, Gary W.; Batista, Victor S.
Tracking the primary photoconversion events in rhodopsins by ultrafast optical spectroscopy
2015 Polli, D.; Rivalta, I.; Nenov, A.; Weingart, O.; Garavelli, M.; Cerullo, G.
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