| Ab initio analysis of water-assisted reaction mechanisms in amide hydrolysis S Antonczak, MF Ruiz-Lopez, JL Rivail Journal of the American Chemical Society 116 (9), 3912-3921, 1994 | 241 | 1994 |
| Molecular reactions at aqueous interfaces MF Ruiz-Lopez, JS Francisco, MTC Martins-Costa, JM Anglada Nature Reviews Chemistry 4 (9), 459-475, 2020 | 240 | 2020 |
| Ab initio SCF calculations on electrostatically solvated molecules using a deformable three axes ellipsoidal cavity D Rinaldi, MF Ruiz‐Lopez, JL Rivail The Journal of Chemical Physics 78 (2), 834-838, 1983 | 224 | 1983 |
| Multichannel multiple-scattering theory with general potentials CR Natoli, M Benfatto, C Brouder, MFR López, DL Foulis Physical Review B 42 (4), 1944, 1990 | 195 | 1990 |
| Solvent effects on the mechanism and selectivities of asymmetric Diels-Alder reactions MF Ruiz-López, X Assfeld, JI García, JA Mayoral, L Salvatella Journal of the American Chemical Society 115 (19), 8780-8787, 1993 | 193 | 1993 |
| A coupled density functional‐molecular mechanics Monte Carlo simulation method: The water molecule in liquid water I Tuñón, MTC Martins‐Costa, C Millot, MF Ruiz‐López, JL Rivail Journal of computational chemistry 17 (1), 19-29, 1996 | 160 | 1996 |
| Deamidation of asparagine residues: direct hydrolysis versus succinimide-mediated deamidation mechanisms S Catak, G Monard, V Aviyente, MF Ruiz-López The Journal of Physical Chemistry A 113 (6), 1111-1120, 2009 | 147 | 2009 |
| The autoignition of cyclopentane and cyclohexane in a shock tube B Sirjean, F Buda, H Hakka, PA Glaude, R Fournet, V Warth, ... Proceedings of the Combustion Institute 31 (1), 277-284, 2007 | 141 | 2007 |
| Atmospheric significance of water clusters and ozone–water complexes JM Anglada, GJ Hoffman, LV Slipchenko, M M. Costa, MF Ruiz-Lopez, ... The Journal of Physical Chemistry A 117 (40), 10381-10396, 2013 | 124 | 2013 |
| Detailed kinetic study of the ring opening of cycloalkanes by CBS-QB3 calculations B Sirjean, PA Glaude, MF Ruiz-Lopez, R Fournet The Journal of Physical Chemistry A 110 (46), 12693-12704, 2006 | 122 | 2006 |
| Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials. I. Proton transfer in … I Tuñón, MTC Martins-Costa, C Millot, MF Ruiz-López The Journal of chemical physics 106 (9), 3633-3642, 1997 | 122 | 1997 |
| Interconnection of reactive oxygen species chemistry across the interfaces of atmospheric, environmental, and biological processes JM Anglada, M Martins-Costa, JS Francisco, MF Ruiz-Lopez Accounts of chemical research 48 (3), 575-583, 2015 | 118 | 2015 |
| The mechanism of formamide hydrolysis in water from ab initio calculations and simulations L Gorb, A Asensio, I Tuñón, MF Ruiz‐López Chemistry–A European Journal 11 (22), 6743-6753, 2005 | 111 | 2005 |
| Hydroxide ion in liquid water: Structure, energetics, and proton transfer using a mixed discrete-continuum ab initio model I Tunon, D Rinaldi, MF Ruiz-Lopez, JL Rivail The Journal of Physical Chemistry 99 (11), 3798-3805, 1995 | 111 | 1995 |
| Liquid state quantum chemistry: A cavity model JL Rivail, B Terryn, D Rinaldi, MF Ruiz-Lopez Journal of Molecular Structure: THEOCHEM 120, 387-400, 1985 | 111 | 1985 |
| Solvent effects on molecular geometries and isomerization processes: A study of push-pull ethylenes in solution RR Pappalardo, E Sanchez Marcos, MF Ruiz-Lopez, D Rinaldi, JL Rivail Journal of the American Chemical Society 115 (9), 3722-3730, 1993 | 101 | 1993 |
| Experimental and theoretical study of the influence of the solvent on asymmetric diels—alder reactions C Cativiela, JI Garcia, JA Mayoral, AJ Royo, L Salvatella, X Assfeld, ... Journal of physical organic chemistry 5 (5), 230-238, 1992 | 100 | 1992 |
| Modeling of peptide hydrolysis by thermolysin. A semiempirical and QM/MM study S Antonczak, G Monard, MF Ruiz-López, JL Rivail Journal of the American Chemical Society 120 (34), 8825-8833, 1998 | 99 | 1998 |
| Electrostatic component of solvation: comparison of SCRF continuum models C Curutchet, CJ Cramer, DG Truhlar, MF Ruiz‐López, D Rinaldi, ... Journal of computational chemistry 24 (3), 284-297, 2003 | 96 | 2003 |
| A theoretical study of the XANES spectra of rutile and anatase MF Ruiz-Lopez, A Munoz-Paez Journal of Physics: Condensed Matter 3 (45), 8981, 1991 | 96 | 1991 |
