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 | 116 | 2012 |
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 | 82 | 2008 |
Recent progress on biodegradable tissue engineering scaffolds prepared by thermally-induced phase separation (Tips) R Zeinali, LJ Del Valle, J Torras, J Puiggali International journal of molecular sciences 22 (7), 3504, 2021 | 69 | 2021 |
Polyaniline Emeraldine Salt in the Amorphous Solid State: Polaron versus Bipolaron M Canales, J Torras, G Fabregat, A Meneguzzi, C Alemán The Journal of Physical Chemistry B 118 (39), 11552–11562, 2014 | 62 | 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 | 52 | 2017 |
A versatile AMBER‐Gaussian QM/MM interface through PUPIL J Torras, GM Seabra, E Deumens, SB Trickey, AE Roitberg Journal of computational chemistry 29 (10), 1564-1573, 2008 | 42 | 2008 |
Hydrogels for flexible and compressible free standing cellulose supercapacitors MG Saborío, P Svelic, J Casanovas, G Ruano, MM Pérez-Madrigal, ... European Polymer Journal 118, 347-357, 2019 | 38 | 2019 |
Mechanistic insights into the reaction of chlorination of tryptophan catalyzed by tryptophan 7-halogenase TG Karabencheva-Christova, J Torras, AJ Mulholland, A Lodola, ... Scientific reports 7 (1), 17395, 2017 | 37 | 2017 |
Poly (2-thiophen-3-yl-malonic acid), a polythiophene with two carboxylic acids per repeating unit O Bertran, E Armelin, F Estrany, A Gomes, J Torras, C Aleman The Journal of Physical Chemistry B 114 (19), 6281-6290, 2010 | 37 | 2010 |
Atomic oxygen chemisorption on Cu (110) and Ag (110): an ab initio study JM Ricart, J Torras, A Clotet, JE Sueiras Surface science 301 (1-3), 89-96, 1994 | 37 | 1994 |
Controlled isomerization of a light-driven molecular motor: A theoretical study J Torras, F Rodriguez-Ropero, O Bertran, C Aleman The Journal of Physical Chemistry C 113 (9), 3574-3580, 2009 | 35 | 2009 |
Cross-linking in polypyrrole and poly (N-methylpyrrole): Comparative experimental and theoretical studies C Alemán, J Casanovas, J Torras, O Bertrán, E Armelin, R Oliver, ... Polymer 49 (4), 1066-1075, 2008 | 35 | 2008 |
Bonding of atomic oxygen to Cu (100) and Ag (100) surfaces: a study of the nature of the interaction JM Ricart, J Torras, F Illas, J Rubio Surface science 307, 107-112, 1994 | 34 | 1994 |
Polythiophene-g-poly (ethylene glycol) graft copolymers for electroactive scaffolds AD Bendrea, G Fabregat, J Torras, S Maione, L Cianga, LJ Del Valle, ... Journal of Materials Chemistry B 1 (33), 4135-4145, 2013 | 32 | 2013 |
Bonding of atomic oxygen to Cu (100) and Ag (100) surfaces: a theoretical comparative study J Torras, JM Ricart, F Illas, J Rubio Surface science 297 (1), 57-65, 1993 | 32 | 1993 |
Software integration in multi-scale simulations: the PUPIL system J Torras, E Deumens, SB Trickey Journal of computer-aided materials design 13, 201-212, 2006 | 30 | 2006 |
Self-Assembly of Lipopeptides Containing Short Peptide Fragments Derived from the Gastrointestinal Hormone PYY3–36: From Micelles to Amyloid Fibrils JA Hutchinson, IW Hamley, J Torras, C Alemán, J Seitsonen, ... The Journal of Physical Chemistry B 123 (3), 614-621, 2019 | 27 | 2019 |
Determination of New Cu+, Cu2+, and Zn2+ Lennard-Jones Ion Parameters in Acetonitrile J Torras, C Aleman The Journal of Physical Chemistry B 117 (36), 10513-10522, 2013 | 25 | 2013 |
Temperature effect on the SARS-CoV-2: A molecular dynamics study of the spike homotrimeric glycoprotein D Martí, J Torras, O Bertran, P Turon, C Alemán Computational and structural biotechnology journal 19, 1848-1862, 2021 | 23 | 2021 |
Fracture, water dissociation, and proton conduction in SiO2 nanochains C Cao, Y He, J Torras, E Deumens, SB Trickey, HP Cheng The Journal of chemical physics 126 (21), 2007 | 22 | 2007 |