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Jordi Casanovas
Jordi Casanovas
Profesor Titular, Universitat de Lleida
Verified email at quimica.udl.cat
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Cited by
Cited by
Year
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
5511996
Reviewing extrapolation procedures of the electronic properties on the π-conjugated polymer limit
J Torras, J Casanovas, C Aleman
The Journal of Physical Chemistry A 116 (28), 7571-7583, 2012
1072012
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
851993
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
822005
Calculated and Experimental NMR Chemical Shifts of p-Menthane-3,9-diols. A Combination of Molecular Dynamics and Quantum Mechanics to Determine the …
J Casanovas, AM Namba, S León, GLB Aquino, GVJ da Silva, C Alemán
The Journal of Organic Chemistry 66 (11), 3775-3782, 2001
822001
Towards an ab initio description of magnetism in ionic solids
F Illas, J Casanovas, MA Garcia-Bach, R Caballol, O Castell
Physical review letters 71 (21), 3549, 1993
791993
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
772008
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
742007
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
702009
Origin of magnetic coupling in La 2 CuO 4
J Casanovas, J Rubio, F Illas
Physical Review B 53 (2), 945, 1996
681996
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
621997
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
582008
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
572004
Design, implementation and validation of the three-wheel holonomic motion system of the assistant personal robot (APR)
J Moreno, E Clotet, R Lupiañez, M Tresanchez, D Martínez, T Pallejà, ...
Sensors 16 (10), 1658, 2016
522016
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
522000
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
482014
On the use of conducting polymers to improve the resistance against corrosion of paints based on polyurethane resins
JI Iribarren, E Armelin, F Liesa, J Casanovas, C Aleman
Materials and corrosion 57 (9), 683-688, 2006
482006
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
452008
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
451994
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
442010
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