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
109 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
77 2008 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
54 2014 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
41 2008 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
40 2017 Recent progress on biodegradable tissue engineering scaffolds prepared by thermally-induced phase separation (Tips) R Zeinali, LJ Del Valle, J Torras, J Puiggalí
International journal of molecular sciences 22 (7), 3504, 2021
37 2021 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
36 1994 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
34 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
33 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
32 2009 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 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
30 2013 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
29 2017 Hydrogels for flexible and compressible free standing cellulose supercapacitors MG Saborio, P Svelic, J Casanovas, G Ruano, MM Pérez-Madrigal, ...
European Polymer Journal 118, 347-357, 2019
27 2019 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
26 2006 Fracture, water dissociation, and proton conduction in C Cao, Y He, J Torras, E Deumens, SB Trickey, HP Cheng
The Journal of chemical physics 126 (21), 211101, 2007
22 2007 PUPIL: A systematic approach to software integration in multi-scale simulations J Torras, Y He, C Cao, K Muralidharan, E Deumens, HP Cheng, ...
Computer physics communications 177 (3), 265-279, 2007
21 2007 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
20 2013 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
19 2019 
Carlos AlemánUniversitat Politècnica de CatalunyaCorreu electrònic verificat a upc.edu
