‪F. Javier Torres / orcid.org/0000-0001-7241-3582‬

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Luis RinconUniversidad San Francisco de Quito, Dept. Ingeniería QuímicaVerified email at usfq.edu.ec
Bartolomeo CivalleriUniversity of Torino - Department of ChemistryVerified email at unito.it
C* M* Zicovich*Professor of physics, Autonomous U. of Morelos StateVerified email at uaem.mx
Fabien PASCALEUniversité de Lorraine, CNRS - LEMTAVerified email at univ-lorraine.fr
Miguel Angel MéndezConsultantVerified email at umbc.edu
Piero UgliengoProfessor of Physical Chemistry, University of TorinoVerified email at unito.it
Gaetano GuerraProfessor of Industrial Chemistry, University of SalernoVerified email at unisa.it
Yovani Marrero-PonceUniversidad Panamericana (UP), Mexico; Universidad San Francisco de Quito (USFQ), Quito, EcuadorVerified email at usfq.edu.ec
Loredana ValenzanoMichigan Technological UniversityVerified email at mtu.edu
Pellegrino MustoDirector of Research, Institute of Polymers, Composites and Biomaterials, National Research CouncilVerified email at cnr.it
Mauro PalumboSISSA, TriesteVerified email at sissa.it
Marcello BariccoDepartment of Chemistry, University of Turin, ItalyVerified email at unito.it
Klaus DollVerified email at theochem.uni-stuttgart.de
Valeria Ochoa-HerreraUniversidad San Francisco de Quito, Quito, EcuadorVerified email at usfq.edu.ec
Paul BlowersChemical and Environmental Engineering, University of ArizonaVerified email at email.arizona.edu
Reyes Sierra-AlvarezProfessor of Chemical and Environmental Engineering, University of ArizonaVerified email at email.arizona.edu
Yoan Martínez López, PhDProfesor de Informática ( Universidad de Camaguey)Verified email at reduc.edu.cu
Shubin LiuUniversity of North CarolinaVerified email at email.unc.edu
Enrique TeranUniversidad San Francisco de QuitoVerified email at usfq.edu.ec
Gabriele RicchiardiAssociate Professor of Physical Chemisty, Dipartimento di Chimica, Università di TorinoVerified email at unito.it

F. Javier Torres / orcid.org/0000-0001-7241-3582

Grupo de Química Computacional y Teórica (QCT-USFQ), Departamento de Ingeniería Química, USFQ

Verified email at usfq.edu.ec - Homepage

Theoretical chemistry Computational chemistry Materials science Electron localization Reactivity


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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	264	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	173	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	63	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	49	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	47	2007
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	38	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	37	2016
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
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	29	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
Adsorption of mercury on oxidized graphenes T Tene, S Bellucci, M Guevara, F Arias Arias, MÁ Sáez Paguay, ... Nanomaterials 12 (17), 3025, 2022	15	2022

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