| 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 | 587 | 1996 |
| 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 | 117 | 2012 |
| 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 | 89 | 2009 |
| 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 | 85 | 2005 |
| 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 | 85 | 2001 |
| 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 | 84 | 2008 |
| 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 | 84 | 1993 |
| 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 | 81 | 1993 |
| 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 | 79 | 2007 |
| 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 | 69 | 2016 |
| Origin of magnetic coupling in La 2 CuO 4 J Casanovas, J Rubio, F Illas Physical Review B 53 (2), 945, 1996 | 68 | 1996 |
| 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 | 64 | 1997 |
| 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 | 58 | 2008 |
| 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 | 57 | 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 | 57 | 2000 |
| 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 | 56 | 2014 |
| Paradigm Shift for Preparing Versatile M2+-Free Gels from Unmodified Sodium Alginate MM Pérez-Madrigal, J Torras, J Casanovas, M Häring, C Alemán, ... Biomacromolecules 18 (9), 2967-2979, 2017 | 55 | 2017 |
| Self‐Assembly of Tetraphenylalanine Peptides E Mayans, G Ballano, J Casanovas, A Díaz, MM Pérez‐Madrigal, ... Chemistry–A European Journal 21 (47), 16895-16905, 2015 | 49 | 2015 |
| 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 | 49 | 2010 |
| 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 | 49 | 2006 |