| Hydrogen bond cooperativity and anticooperativity within the water hexamer JM Guevara-Vela, E Romero-Montalvo, VAM Gómez, R Chávez-Calvillo, ... Physical Chemistry Chemical Physics 18 (29), 19557-19566, 2016 | 122 | 2016 |
| Hydrogen‐Bond Cooperative Effects in Small Cyclic Water Clusters as Revealed by the Interacting Quantum Atoms Approach JM Guevara‐Vela, R Chávez‐Calvillo, M García‐Revilla, ... Chemistry–A European Journal 19 (42), 14304-14315, 2013 | 97 | 2013 |
| Domain‐averaged exchange‐correlation energies as a physical underpinning for chemical graphs M García‐Revilla, E Francisco, PLA Popelier, A Martin Pendas ChemPhysChem 14 (6), 1211-1218, 2013 | 94 | 2013 |
| Nature of chemical interactions from the profiles of electron delocalization indices M García-Revilla, PLA Popelier, E Francisco, A Martin Pendas Journal of chemical theory and computation 7 (6), 1704-1711, 2011 | 59 | 2011 |
| Dynamical correlation within the Interacting Quantum Atoms method through coupled cluster theory R Chávez-Calvillo, M García-Revilla, E Francisco, ÁM Pendás, ... Computational and Theoretical Chemistry 1053, 90-95, 2015 | 45 | 2015 |
| A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants E Francisco, AM Pendás, M García-Revilla, RÁ Boto Computational and Theoretical Chemistry 1003, 71-78, 2013 | 41 | 2013 |
| A hierarchy of chemical bonding indices in real space from reduced density matrices and cumulants E Francisco, AM Pendás, M García-Revilla, RÁ Boto Computational and Theoretical Chemistry 1003, 71-78, 2013 | 41 | 2013 |
| Electron correlation in the interacting quantum atoms partition via coupled‐cluster lagrangian densities FJ Holguín‐Gallego, R Chávez‐Calvillo, M García‐Revilla, E Francisco, ... Journal of Computational Chemistry 37 (19), 1753-1765, 2016 | 38 | 2016 |
| Performance of the density matrix functional theory in the quantum theory of atoms in molecules M García-Revilla, E Francisco, A Costales, A Martín Pendás The Journal of Physical Chemistry A 116 (4), 1237-1250, 2012 | 37 | 2012 |
| Energetic and electron density analysis of hydrogen dissociation of protonated benzene M García-Revilla, J Hernández-Trujillo Physical Chemistry Chemical Physics 11 (38), 8425-8432, 2009 | 24 | 2009 |
| Synthesis and experimental-computational characterization of nonlinear optical properties of triazacyclopentafluorene-coumarin derivatives S García, JL Vázquez, M Rentería, IG Aguilar-Garduño, F Delgado, ... Optical Materials 62, 231-239, 2016 | 20 | 2016 |
| Design of fluorescent coumarin-hydroxamic acid derivatives as inhibitors of HDACs: Synthesis, anti-proliferative evaluation and docking studies S García, I Mercado-Sánchez, L Bahena, Y Alcaraz, MA García-Revilla, ... Molecules 25 (21), 5134, 2020 | 15 | 2020 |
| Effects of lead and lead–melatonin exposure on protein and gene expression of metal transporters, proteins and the copper/zinc ratio in rats KJ Soto-Arredondo, J Robles, E Díaz-Cervantes, C Ruiz-Ramírez, ... Biometals 31, 859-871, 2018 | 14 | 2018 |
| Noncovalent interactions between cisplatin and graphene prototypes MR Cuevas‐Flores, MA Garcia‐Revilla, M Bartolomei Journal of Computational Chemistry 39 (2), 71-80, 2018 | 14 | 2018 |
| Electron number distribution functions with iterative Hirshfeld atoms E Francisco, AM Pendás, A Costales, M García-Revilla Computational and Theoretical Chemistry 975 (1-3), 2-8, 2011 | 13 | 2011 |
| Chemical Interactions and Spin Structure in (O2)4: Implications for the ε-O2 Phase MA García-Revilla, E Francisco, Á Martín Pendás, JM Recio, M Bartolomei, ... Journal of Chemical Theory and Computation 9 (5), 2179-2188, 2013 | 11 | 2013 |
| Predictive global models of cruzain inhibitors with large chemical coverage JG Rosas-Jimenez, MA Garcia-Revilla, A Madariaga-Mazon, ... ACS omega 6 (10), 6722-6735, 2021 | 10 | 2021 |
| Interaction and reactivity of cisplatin physisorbed on graphene oxide nano-prototypes MR Cuevas-Flores, M Bartolomei, MA García-Revilla, C Coletti Nanomaterials 10 (6), 1074, 2020 | 8 | 2020 |
| Binding of Pb-Melatonin and Pb-(Melatonin-metabolites) complexes with DMT1 and ZIP8: implications for lead detoxification T Villaseñor-Granados, E Díaz-Cervantes, KJ Soto-Arredondo, ... DARU Journal of Pharmaceutical Sciences 27, 137-148, 2019 | 7 | 2019 |
| Solubility of functionalized single-wall carbon nanotubes in water: A theoretical study E Díaz-Cervantes, MA García-Revilla, J Robles, F Aguilera-Granja Theoretical Chemistry Accounts 136 (11), 127, 2017 | 7 | 2017 |
