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Juan Torras
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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
1162012
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
822008
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
612021
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
602014
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
502017
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
422008
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
382019
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
372017
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
372010
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
371994
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
352009
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
352008
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
341994
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
322013
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
321993
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
292006
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
272019
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
242013
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
232021
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
222007
En aquests moments el sistema no pot dur a terme l'operació. Torneu-ho a provar més tard.
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