| 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 |
| Interplay of Charge State, Lability, and Magnetism in the Molecule-like Au25(SR)18 Cluster S Antonello, NV Perera, M Ruzzi, JA Gascón, F Maran Journal of the American Chemical Society 135 (41), 15585-15594, 2013 | 230 | 2013 |
| 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 |
| Au25(SEt)18, a Nearly Naked Thiolate-Protected Au25 Cluster: Structural Analysis by Single Crystal X-ray Crystallography and Electron Nuclear Double Resonance T Dainese, S Antonello, JA Gascon, F Pan, NV Perera, M Ruzzi, A Venzo, ... ACS Nano 8 (4), 3904-3912, 2014 | 166 | 2014 |
| 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 |
| The mechanism of photosynthetic water splitting JP McEvoy, JA Gascon, VS Batista, GW Brudvig Photochemical & Photobiological Sciences 4 (12), 940-949, 2005 | 145 | 2005 |
| 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 |
| Effect of the Charge State (z = −1, 0, +1) on the Nuclear Magnetic Resonance of Monodisperse Au25[S(CH2)2Ph]18z Clusters A Venzo, S Antonello, JA Gascón, I Guryanov, RD Leapman, NV Perera, ... Analytical chemistry 83 (16), 6355-6362, 2011 | 140 | 2011 |
| Quantum mechanics/molecular mechanics structural models of the oxygen-evolving complex of photosystem II EM Sproviero, JA Gascon, 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 theory EM Sproviero, JA Gascon, JP McEvoy, GW Brudvig, VS Batista Journal of inorganic biochemistry 100 (4), 786-800, 2006 | 122 | 2006 |
| Proof for the Concerted Inversion Mechanism in the trans→cis Isomerization of Azobenzene Using Hydrogen Bonding To Induce Isomer Locking HMD Bandara, TR Friss, MM Enriquez, W Isley, C Incarvito, HA Frank, ... The Journal of organic chemistry 75 (14), 4817-4827, 2010 | 120 | 2010 |
| QM/MM study of energy storage and molecular rearrangements due to the primary event in vision JA Gascon, VS Batista Biophysical journal 87 (5), 2931-2941, 2004 | 116 | 2004 |
| QM/MM approaches in medicinal chemistry research LC Menikarachchi, JA Gascón Current Topics in Medicinal Chemistry 10 (1), 46-54, 2010 | 104 | 2010 |
| Removal of azo dyes: Intercalation into sonochemically synthesized NiAl layered double hydroxide MN Pahalagedara, M Samaraweera, S Dharmarathna, CH Kuo, ... The Journal of Physical Chemistry C 118 (31), 17801-17809, 2014 | 102 | 2014 |
| 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 |
| QM/MM computational studies of substrate water binding to the oxygen-evolving centre of photosystem II EM Sproviero, K Shinopoulos, JA Gascon, JP McEvoy, GW Brudvig, ... Philosophical Transactions of the Royal Society B: Biological Sciences 363 …, 2008 | 80 | 2008 |
| Synthesis and structure–activity relationships of metal–ligand complexes that potently inhibit cell migration AB Beshir, SK Guchhait, JA Gascón, G Fenteany Bioorganic & medicinal chemistry letters 18 (2), 498-504, 2008 | 74 | 2008 |
| Computational insights into the O2-evolving complex of photosystem II EM Sproviero, JP McEvoy, JA Gascón, GW Brudvig, VS Batista Photosynthesis research 97, 91-114, 2008 | 73 | 2008 |
| A self-consistent space-domain decomposition method for QM/MM computations of protein electrostatic potentials JA Gascon, SSF Leung, ER Batista, VS Batista Journal of Chemical Theory and Computation 2 (1), 175-186, 2006 | 66 | 2006 |
| 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 |
Eduardo M. SprovieroTemple UniversityVerified email at temple.edu