Fernando J Torres
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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
Zeitschrift für Physikalische Chemie 220 (7), 893-912, 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
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
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
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
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
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
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
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
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
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
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
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
Functional N-Representability in 2-Matrix, 1-Matrix, and Density Functional Theories
EV Lude, FJ Torres, C Costa
Scientific Research Publishing, 2013
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
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
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
The electron localization as the information content of the conditional pair density
AS Urbina, FJ Torres, L Rincon
The Journal of chemical physics 144 (24), 244104, 2016
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 (3), 77, 2016
Non-Born–Oppenheimer nuclear and electronic densities for a three-particle Hooke–Coulomb model
CG Rodríguez, AS Urbina, FJ Torres, D Cazar, EV Ludena
Computational and Theoretical Chemistry 1018, 26-34, 2013
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