| The CO chemisorption on some active sites of Pd clusters: A DFT study V Bertin, E Agacino, R Lopez Rendon, E Poulain Journal of Molecular Structure: THEOCHEM 796, 243-48, 2006 | 36 | 2006 |
| DFT study of CO adsorption on nitrogen/boron doped-graphene for sensor applications LF Velázquez-López, SM Pacheco-Ortin, R Mejía-Olvera, ... Journal of molecular modeling 25, 1-11, 2019 | 28 | 2019 |
| Brønsted sites on acid-treated montmorillonite: a theoretical study with probe molecules C Briones-Jurado, E Agacino-Valdés The Journal of Physical Chemistry A 113 (31), 8994-9001, 2009 | 22 | 2009 |
| [Cu(H2O) n ]2+ (n = 1–6) complexes in solution phase: a DFT hierarchical study EA Galván-García, E Agacino-Valdés, M Franco-Pérez, ... Theoretical Chemistry Accounts 136, 1-14, 2017 | 20 | 2017 |
| Experimental and theoretical study of the conformational analysis of hydrochlorothiazide JM Aceves-Hernández, E Agacino-Valdés, M Paz, J Hinojosa-Torres Journal of molecular structure 786 (1), 1-8, 2006 | 15 | 2006 |
| Quantum mechanical approach to isoleucine+ OH gas phase reaction. Mechanism and kinetics A Galano, JR Alvarez-Idaboy, E Agacino-Valdés, ME Ruiz-Santoyo Journal of Molecular Structure: THEOCHEM 676 (1-3), 97-103, 2004 | 15 | 2004 |
| Degradation of lisinopril: A physico-chemical study J Hinojosa-Torres, JM Aceves-Hernandez, M Paz, VM Castaño, ... Journal of Molecular Structure 886 (1-3), 51-58, 2008 | 12 | 2008 |
| Theoretical calculation of carbon clusters E Agacino Valdes, P De La Mora, M Castro, J Keller International journal of quantum chemistry 65 (5), 867-875, 1997 | 12 | 1997 |
| On the possible removal of nitrogen monoxide and carbon monoxide on copper ion‐exchanged montmorillonite: A DFT study C Briones‐Jurado, E Agacino‐Valdés International Journal of Quantum Chemistry 108 (10), 1802-1809, 2008 | 10 | 2008 |
| Dissociation of N2O promoted by Rh6 clusters. A ZORA/DFT/PBE study H Francisco, V Bertin, E Agacino, E Poulain, M Castro Journal of Molecular Catalysis A: Chemical 406, 238-250, 2015 | 9 | 2015 |
| Possible DNA damage by oxidation products of guanine: A density functional and electron propagator theoretical study S Pacheco‐Ortín, R Gaitán Lozano, E Agacino Valdés International Journal of Quantum Chemistry 112 (16), 2840-2847, 2012 | 8 | 2012 |
| Theoretical study of intradimer mechanism for diamond growth over diamond (100) E Agacino, P de la Mora Structural Chemistry 14, 541-550, 2003 | 8 | 2003 |
| Theoretical study of Aun clusters (n = 1–5) deposited on a rutile TiO2 (110) slab, concerning structure and stability E Agacino Valdés, G Tavizón, P de la Mora Journal of Computational Chemistry 41 (32), 2750-2757, 2020 | 6 | 2020 |
| Stability constants of Cu (II)-piroxicam complexes in solution: A DFT study LG Ledesma-Olvera, E Agacino-Valdés, R Gómez-Balderas Theoretical Chemistry Accounts 135, 1-12, 2016 | 6 | 2016 |
| Density functional theory study of Aun (n= 1–5) clusters supported on montmorillonite C Briones‐Jurado, P de la Mora, E Agacino‐Valdés International Journal of Quantum Chemistry 112 (22), 3646-3654, 2012 | 3 | 2012 |
| Quantum Mechanical Approach to Leucine+ OH Gas Phase Reaction: Mechanism and Kinetics A Galano, JR Álvarez-Idaboy, E Agacino, ME Ruiz-Santoyo Revista de la Sociedad Química de México 48 (2), 139-145, 2004 | 3 | 2004 |
| Reactivity analysis in diamond surfaces with a density functional calculation E Agacino, P de la Mora, AR Ruiz-Salvador Structural Chemistry 12, 101-111, 2001 | 3 | 2001 |
| Theoretical study of O2 adsorption and CO2 formation in bimetallic dimer clusters Au‐M SM Pacheco‐Ortín, E Agacino‐Valdés, P De La Mora International Journal of Quantum Chemistry 108 (10), 1796-1801, 2008 | 2 | 2008 |
| Acidity predictions in an electron propagator approach E Agacino, R Gaitán, I Menconi International journal of quantum chemistry 106 (8), 1799-1808, 2006 | 1 | 2006 |
| A density functional study of the coronene-pyrrole system in relation to its possible application as NO2 and NH3 sensors CS Olmedo-Martinez, JM Hernandez-Duarte, R Mejia-Olvera, ... European Journal of Chemistry 13 (4), 371-380, 2022 | | 2022 |
