| Quantum mechanics/molecular mechanics study of the catalytic cycle of water splitting in photosystem II EM Sproviero, JA Gascón, JP McEvoy, GW Brudvig, VS Batista Journal of the American Chemical Society 130 (11), 3428-3442, 2008 | 423 | 2008 |
| Computational studies of the O2-evolving complex of photosystem II and biomimetic oxomanganese complexes EM Sproviero, JA Gascón, JP McEvoy, GW Brudvig, VS Batista Coordination chemistry reviews 252 (3-4), 395-415, 2008 | 185 | 2008 |
| QM/MM Models of the O2-Evolving Complex of Photosystem II EM Sproviero, JA Gascón, JP McEvoy, GW Brudvig, VS Batista Journal of chemical theory and computation 2 (4), 1119-1134, 2006 | 160 | 2006 |
| A model of the oxygen-evolving center of photosystem II predicted by structural refinement based on EXAFS simulations EM Sproviero, JA Gascón, JP McEvoy, GW Brudvig, VS Batista Journal of the American Chemical Society 130 (21), 6728-6730, 2008 | 144 | 2008 |
| Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II EM Sproviero, JA Gascón, JP McEvoy, GW Brudvig, VS Batista Current opinion in structural biology 17 (2), 173-180, 2007 | 122 | 2007 |
| Characterization of synthetic oxomanganese complexes and the inorganic core of the O2-evolving complex in photosystem II: Evaluation of the DFT/B3LYP level of … EM Sproviero, JA Gascon, JP McEvoy, GW Brudvig, VS Batista Journal of inorganic biochemistry 100 (4), 786-800, 2006 | 122 | 2006 |
| Density functional theory and DFT+ U study of transition metal porphines adsorbed on Au (111) surfaces and effects of applied electric fields K Leung, SB Rempe, PA Schultz, EM Sproviero, VS Batista, ... Journal of the American Chemical Society 128 (11), 3659-3668, 2006 | 121 | 2006 |
| Computational studies of the primary phototransduction event in visual rhodopsin JA Gascón, EM Sproviero, VS Batista Accounts of chemical research 39 (3), 184-193, 2006 | 98 | 2006 |
| Deposition of an oxomanganese water oxidation catalyst on TiO 2 nanoparticles: computational modeling, assembly and characterization G Li, EM Sproviero, RC Snoeberger Iii, N Iguchi, JD Blakemore, ... Energy & Environmental Science 2 (2), 230-238, 2009 | 83 | 2009 |
| QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II EM Sproviero, K Shinopoulos, JA Gascón, JP McEvoy, GW Brudvig, ... Philosophical Transactions of the Royal Society of London B: Biological …, 2008 | 80 | 2008 |
| Computational insights into the O2-evolving complex of photosystem II EM Sproviero, JP McEvoy, JA Gascón, GW Brudvig, VS Batista Photosynthesis research 97 (1), 91-114, 2008 | 73 | 2008 |
| Reversible Visible-Light Photooxidation of an Oxomanganese Water-Oxidation Catalyst Covalently Anchored to TiO2 Nanoparticles G Li, EM Sproviero, WR McNamara, RC Snoeberger III, RH Crabtree, ... The Journal of Physical Chemistry B 114 (45), 14214-14222, 2009 | 67 | 2009 |
| QM/MM study of the NMR spectroscopy of the retinyl chromophore in visual rhodopsin JA Gascón, EM Sproviero, VS Batista Journal of chemical theory and computation 1 (4), 674-685, 2005 | 56 | 2005 |
| Sodium-retaining activity of some natural and synthetic 21-deoxysteroids. G Burton, M Galigniana, S De Lavallaz, AL Brachet-Cota, EM Sproviero, ... Molecular pharmacology 47 (3), 535-543, 1995 | 51 | 1995 |
| The MoD-QM/MM methodology for structural refinement of photosystem II and other biological macromolecules EM Sproviero, MB Newcomer, JA Gascón, ER Batista, GW Brudvig, ... Photosynthesis research 102 (2-3), 455-470, 2009 | 42 | 2009 |
| Theoretical EXAFS studies of a model of the oxygen‐evolving complex of photosystem II obtained with the quantum cluster approach X Li, EM Sproviero, U Ryde, VS Batista, G Chen International Journal of Quantum Chemistry 113 (4), 474-478, 2013 | 30 | 2013 |
| RPA AM1 calculations of NMR spin-spin coupling constants: geminal119Sn119Sn couplings GA Aucar, E Botek, S Go, E Sproviero, RH Contreras Journal of organometallic chemistry 524 (1), 1-7, 1996 | 24 | 1996 |
| Characterization of siloxane adsorbates covalently attached to TiO2 N Iguchi, C Cady, RC Snoeberger, BM Hunter, EM Sproviero, ... Physical Chemistry of Interfaces and Nanomaterials VII 7034, 70340C, 2008 | 23 | 2008 |
| Stereoelectronic Contributions to Long-Range 1H−H Coupling Constants1 EM Sproviero, G Burton The Journal of Physical Chemistry A 106 (34), 7834-7843, 2002 | 13 | 2002 |
| Stereoelectronic interactions and molecular properties. An NBO-based study of uracil EM Sproviero, G Burton The Journal of Physical Chemistry A 107 (29), 5544-5554, 2003 | 11 | 2003 |
Jose GasconUniversity of ConnecticutVerified email at uconn.edu