| First-Principles Ion−Water Interaction Potentials for Highly Charged Monatomic Cations. Computer Simulations of Al3+, Mg2+, and Be2+ in Water JM Martínez, RR Pappalardo, E Sánchez Marcos Journal of the American Chemical Society 121 (13), 3175-3184, 1999 | 137 | 1999 |
| Determination of the second hydration shell of Cr3+ and Zn2+ in aqueous solutions by extended X-ray absorption fine structure A Munoz-Paez, RR Pappalardo, E Sanchez Marcos Journal of the American Chemical Society 117 (47), 11710-11720, 1995 | 111 | 1995 |
| Effects of the solvent reaction field on the geometrical structures of hexahydrate metallic cations E Sanchez Marcos, RR Pappalardo, D Rinaldi The Journal of Physical Chemistry 95 (22), 8928-8932, 1991 | 105 | 1991 |
| 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 | 102 | 1993 |
| Solving the hydration structure of the heaviest actinide aqua ion known: the californium (III) case E Galbis, J Hernández-Cobos, C den Auwer, C Le Naour, D Guillaumont, ... Angew. Chem. Int. Ed 49, 3811-3815, 2010 | 95 | 2010 |
| Theoretical study of the microsolvation of the bromide anion in water, methanol, and acetonitrile: Ion− solvent vs solvent− solvent interactions R Ayala, JM Martínez, RR Pappalardo, E Sánchez Marcos The Journal of Physical Chemistry A 104 (12), 2799-2807, 2000 | 91 | 2000 |
| Recovering the concept of the hydrated ion for modeling ionic solutions: a Monte Carlo study of zinc (2+) in water RR Pappalardo, E Sanchez Marcos The Journal of Physical Chemistry 97 (17), 4500-4504, 1993 | 88 | 1993 |
| Study of the Ag+ Hydration by Means of a Semicontinuum Quantum-Chemical Solvation Model JM Martínez, RR Pappalardo, ES Marcos The Journal of Physical Chemistry A 101 (24), 4444-4448, 1997 | 77 | 1997 |
| On the halide hydration study: development of first-principles halide ion-water interaction potential based on a polarizable model R Ayala, JM Martı́nez, RR Pappalardo, E Sánchez Marcos The Journal of chemical physics 119 (18), 9538-9548, 2003 | 71 | 2003 |
| Application of the Hydrated Ion Concept for Modeling Aqueous Solutions Containing Highly Charged Ions: A Monte Carlo Simulation of Cr3+ in Water Using an … RR Pappalardo, JM Martínez, ES Marcos The Journal of Physical Chemistry 100 (28), 11748-11754, 1996 | 67 | 1996 |
| Understanding the Hydration Structure of Square-Planar Aquaions: The [Pd(H2O)4]2+ Case JM Martínez, F Torrico, RR Pappalardo, E Sanchez Marcos The Journal of Physical Chemistry B 108 (40), 15851-15855, 2004 | 62 | 2004 |
| A molecular dynamics study of the hydration based on a fully flexible hydrated ion model JM Martı́nez, RR Pappalardo, E Sánchez Marcos The Journal of chemical physics 109 (4), 1445-1455, 1998 | 60 | 1998 |
| The hydration structure of the heavy-alkalines Rb+ and Cs+ through molecular dynamics and X-ray absorption spectroscopy: surface clusters and eccentricity DZ Caralampio, JM Martínez, RR Pappalardo, ES Marcos Physical Chemistry Chemical Physics 19 (42), 28993-29004, 2017 | 59 | 2017 |
| Explaining asymmetric solvation of Pt (II) versus Pd (II) in aqueous solution revealed by ab initio molecular dynamics simulations EC Beret, JM Martinez, RR Pappalardo, ES Marcos, NL Doltsinis, D Marx Journal of Chemical Theory and Computation 4 (12), 2108-2121, 2008 | 59 | 2008 |
| Second Hydration Shell Single Scattering versus First Hydration Shell Multiple Scattering in M(H2O)63+ EXAFS Spectra H Sakane, A Muñoz-Páez, S Díaz-Moreno, JM Martínez, RR Pappalardo, ... Journal of the American Chemical Society 120 (40), 10397-10401, 1998 | 59 | 1998 |
| Studies on Stereoselective [2+ 2] Cycloadditions between N, N‐Dialkylhydrazones and Ketenes E Martín‐Zamora, A Ferrete, JM Llera, JM Muñoz, RR Pappalardo, ... Chemistry–A European Journal 10 (23), 6111-6129, 2004 | 54 | 2004 |
| Interplay of computer simulations and x-ray absorption spectra in the study of the bromide hydration structure PJ Merkling, R Ayala, JM Martınez, RR Pappalardo, E Sánchez Marcos The Journal of chemical physics 119 (13), 6647-6654, 2003 | 52 | 2003 |
| Development of first-principles interaction model potentials. An application to the study of the bromide hydration R Ayala, JM Martı́nez, RR Pappalardo, H Saint-Martı́n, I Ortega-Blake, ... The Journal of chemical physics 117 (23), 10512-10524, 2002 | 50 | 2002 |
| Coupling a polarizable water model to the hydrated ion–water interaction potential: A test on the hydration JM Martı́nez, J Hernández-Cobos, H Saint-Martin, RR Pappalardo, ... The Journal of Chemical Physics 112 (5), 2339-2347, 2000 | 49 | 2000 |
| Combined Experimental and Theoretical Approach to the Study of Structure and Dynamics of the Most Inert Aqua Ion [Ir(H2O)6]3+ in Aqueous Solution F Carrera, F Torrico, DT Richens, A Munoz-Paez, JM Martínez, ... The Journal of Physical Chemistry B 111 (28), 8223-8233, 2007 | 48 | 2007 |
