| Ab Initio Study of the Vibrational Spectrum and Related Properties of Crystalline Compounds; the Case of CaCO3 Calcite L Valenzano, FJ Torres, K Doll, F Pascale, CM Zicovich-Wilson, R Dovesi Oldenbourg Wissenschaftsverlag 220 (7), 893-912, 2006 | 260 | 2006 |
| Hydrogen release from solid state NaBH4 J Urgnani, FJ Torres, M Palumbo, M Baricco International Journal of Hydrogen Energy 33 (12), 3111-3115, 2008 | 172 | 2008 |
| Ab initio simulation of the IR spectra of pyrope, grossular, and andradite CM Zicovich‐Wilson, FJ Torres, F Pascale, L Valenzano, R Orlando, ... Journal of computational chemistry 29 (13), 2268-2278, 2008 | 101 | 2008 |
| Normal vibrational analysis of the syndiotactic polystyrene s (2/1) 2 helix FJ Torres, B Civalleri, A Meyer, P Musto, AR Albunia, P Rizzo, G Guerra The Journal of Physical Chemistry B 113 (15), 5059-5071, 2009 | 85 | 2009 |
| Ab initio study of the structural, electronic, and thermodynamic properties of linear perfluorooctane sulfonate (PFOS) and its branched isomers FJ Torres, V Ochoa-Herrera, P Blowers, R Sierra-Alvarez Chemosphere 76 (8), 1143-1149, 2009 | 62 | 2009 |
| Vibrational Spectrum of Katoite Ca3Al2[(OH)4]3: A Periodic ab Initio Study R Orlando, FJ Torres, F Pascale, P Ugliengo, C Zicovich-Wilson, R Dovesi The Journal of Physical Chemistry B 110 (2), 692-701, 2006 | 56 | 2006 |
| Normal vibrational analysis of a trans-planar syndiotactic polystyrene chain FJ Torres, B Civalleri, C Pisani, P Musto, AR Albunia, G Guerra The Journal of Physical Chemistry B 111 (23), 6327-6335, 2007 | 54 | 2007 |
| Interaction of H2 with Alkali-Metal-Exchanged Zeolites: a Quantum Mechanical Study FJ Torres, JG Vitillo, B Civalleri, G Ricchiardi, A Zecchina The Journal of Physical Chemistry C 111 (6), 2505-2513, 2007 | 52 | 2007 |
| Thermodynamic and ab initio investigation of the Al–H–Mg system M Palumbo, FJ Torres, JR Ares, C Pisani, JF Fernandez, M Baricco Calphad 31 (4), 457-467, 2007 | 47 | 2007 |
| Theoretical study of molecular hydrogen adsorption in Mg-exchanged chabazite FJ Torres, B Civalleri, A Terentyev, P Ugliengo, C Pisani The Journal of Physical Chemistry C 111 (5), 1871-1873, 2007 | 46 | 2007 |
| Functional n-representability in 2-matrix, 1-matrix, and density functional theories EV Ludeña, FJ Torres, C Costa Journal of Modern Physics 4 (3), 391-400, 2013 | 37 | 2013 |
| Removal of mercury (II) from aqueous solution by partially reduced graphene oxide T Tene, F Arias Arias, M Guevara, A Nuñez, L Villamagua, C Tapia, ... Scientific Reports 12 (1), 6326, 2022 | 36 | 2022 |
| On the activation of σ-bonds by electric fields: A Valence Bond perspective L Rincón, JR Mora, FJ Torres, R Almeida Chemical Physics 477, 1-7, 2016 | 36 | 2016 |
| Uniplanar orientations as a tool to assign vibrational modes of polymer chain AR Albunia, P Rizzo, G Guerra, FJ Torres, B Civalleri, CM Zicovich-Wilson Macromolecules 40 (11), 3895-3897, 2007 | 35 | 2007 |
| An ab initio periodic study of acidic chabazite as a candidate for dihydrogen storage FJ Torres, B Civalleri, C Pisani, P Ugliengo The Journal of Physical Chemistry B 110 (21), 10467-10474, 2006 | 33 | 2006 |
| A review of the computational studies of proton-and metal-exchanged chabazites as media for molecular hydrogen storage performed with the CRYSTAL code FJ Torres, P Ugliengo, B Civalleri, A Terentyev, C Pisani International journal of hydrogen energy 33 (2), 746-754, 2008 | 30 | 2008 |
| Discovering key residues of dengue virus NS2b-NS3-protease: New binding sites for antiviral inhibitors design D Aguilera-Pesantes, LE Robayo, PE Méndez, D Mollocana, ... Biochemical and Biophysical Research Communications 492 (4), 631-642, 2017 | 27 | 2017 |
| When global and local molecular descriptors are more than the sum of its parts: Simple, But Not Simpler? Y Martínez-López, Y Marrero-Ponce, SJ Barigye, E Teran, ... Molecular Diversity 24, 913-932, 2020 | 18 | 2020 |
| On the thermodynamic stability of the intermolecular association between Lewis acids and Lewis bases: a DFT study M Becerra, M Real-Enriquez, C Espinosa-Gavilanes, CH Zambrano, ... Theoretical Chemistry Accounts 135, 1-11, 2016 | 18 | 2016 |
| A theoretical study of the conformational preference of alkyl-and aryl-substituted pyrogallol [4] arenes and evidence of the accumulation of negative electrostatic potential … S Manzano, CH Zambrano, MA Mendez, EE Dueno, RA Cazar, FJ Torres Molecular Simulation 40 (4), 327-334, 2014 | 15 | 2014 |
Luis RinconUniversidad San Francisco de Quito, Dept. Ingeniería QuímicaVerified email at usfq.edu.ec