Jordi Casanovas
Jordi Casanovas
Profesor Titular, Universitat de Lleida
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Origin of the large N 1s binding energy in X-ray photoelectron spectra of calcined carbonaceous materials
J Casanovas, JM Ricart, J Rubio, F Illas, JM Jiménez-Mateos
Journal of the American Chemical Society 118 (34), 8071-8076, 1996
Kinematics of relativistic magnetic reconnection
EG Blackman, GB Field
Physical Review Letters 72 (4), 494, 1994
Reviewing extrapolation procedures of the electronic properties on the π-conjugated polymer limit
J Torras, J Casanovas, C Alemán
The Journal of Physical Chemistry A 116 (28), 7571-7583, 2012
Madelung fields from optimized point charges for ab initio cluster model calculations on ionic systems
C Sousa, J Casanovas, J Rubio, F Illas
Journal of computational chemistry 14 (6), 680-684, 1993
Calculated and experimental NMR chemical shifts of p-menthane-3, 9-diols. A combination of molecular dynamics and quantum mechanics to determine the structure and the solvent …
J Casanovas, AM Namba, S León, GLB Aquino, GVJ da Silva, C Alemán
The Journal of organic chemistry 66 (11), 3775-3782, 2001
Structural and electronic properties of 3, 4-ethylenedioxythiophene, 3, 4-ethylenedisulfanylfurane and thiophene oligomers: A theoretical investigation
C Alemán, E Armelin, JI Iribarren, F Liesa, M Laso, J Casanovas
Synthetic Metals 149 (2-3), 151-156, 2005
Comparative theoretical study of heterocyclic conducting oligomers: neutral and oxidized forms
J Casanovas, C Alemán
The Journal of Physical Chemistry C 111 (12), 4823-4830, 2007
Origin of magnetic coupling in La 2 CuO 4
J Casanovas, J Rubio, F Illas
Physical Review B 53 (2), 945, 1996
On the molecular properties of polyaniline: A comprehensive theoretical study
C Aleman, CA Ferreira, J Torras, A Meneguzzi, M Canales, ...
Polymer 49 (23), 5169-5176, 2008
Absence of collective effects in Heisenberg systems with localized magnetic moments
F Illas, I de PR Moreira, C De Graaf, O Castell, J Casanovas
Physical Review B 56 (9), 5069, 1997
Theoretical investigation of the 3, 4-ethylenedioxythiophene dimer and unsubstituted heterocyclic derivatives
C Alemán, J Casanovas
The Journal of Physical Chemistry A 108 (8), 1440-1447, 2004
Ab initio calculations of 29Si solid state NMR chemical shifts of silane and silanol groups in silica
J Casanovas, F Illas, G Pacchioni
Chemical Physics Letters 326 (5-6), 523-529, 2000
Thermodynamic control of the polymerizability of five-, six-, and seven-membered lactones
C Aleman, O Betran, J Casanovas, KN Houk, HK Hall Jr
The Journal of organic chemistry 74 (16), 6237-6244, 2009
Ab initio calculations on π‐stacked thiophene dimer, trimer, and tetramer: Structure, interaction energy, cooperative effects, and intermolecular electronic parameters
F Rodríguez‐Ropero, J Casanovas, C Alemán
Journal of computational chemistry 29 (1), 69-78, 2008
The energy landscape of a selective tumor-homing pentapeptide
D Zanuy, A Flores-Ortega, J Casanovas, D Curco, R Nussinov, C Aleman
The journal of physical chemistry B 112 (29), 8692-8700, 2008
Conformational preferences of α-substituted proline analogues
A Flores-Ortega, AI Jiménez, C Cativiela, R Nussinov, C Alemán, ...
The Journal of organic chemistry 73 (9), 3418-3427, 2008
An ab initio cluster model study of the magnetic coupling in KNiF3
J Casanovas, F Illas
The Journal of chemical physics 100 (11), 8257-8264, 1994
Influence of the phenyl side chain on the conformation of cyclopropane analogues of phenylalanine
C Alemán, AI Jiménez, C Cativiela, JJ Perez, J Casanovas
The Journal of Physical Chemistry B 106 (45), 11849-11858, 2002
A rational design for the selective detection of dopamine using conducting polymers
G Fabregat, J Casanovas, E Redondo, E Armelin, C Alemán
Physical Chemistry Chemical Physics 16 (17), 7850-7861, 2014
Examining the planarity of poly (3, 4-ethylenedioxythiophene): consideration of self-rigidification, electronic, and geometric effects
J Poater, J Casanovas, M Sola, C Alemán
The Journal of Physical Chemistry A 114 (2), 1023-1028, 2010
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