Browsing by Author "Curcó Cantarell, David"
Now showing items 1-6 of 6
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1-Butanol absorption in poly(styrene-divinylbenzene) ion exchange resins for catalysis
(2015-01-01)
Article
Open AccessThe swelling behaviour of poly(styrene-co-divinylbenzene), P(S-DVB), ion exchange resins in 1-butanol (BuOH) has been studied by means of atomistic classical molecular dynamics simulations (MD). The topological characteristics ... -
Atomistic organization and characterization of tube-like assemblies comprising peptide-polymer conjugates: computer simulation studies
(2013)
Article
Open AccessThe structure and stability of the nanotube obtained by assembling peptide-polymer conjugates consisting of two poly(n-butyl acrylate) blocks coupled to the cyclic (D-alt-L)-octapeptide cyc[(L-Gln-D-Ala-L-Lys-D-Ala)(2)], ... -
Atomistic simulations of the structure of highly crosslinked sulfonated poly(styrene-co-divinylbenzene) ion exchange resins
(2015-01-01)
Article
Open AccessThe microscopic structures of highly crosslinked sulfonated poly(styrene-co-divinylbenzene) resins have been modeled by generating atomistic microstructures using stochastic-like algorithms, which are subsequently relaxed ... -
Doped photo-crosslinked polyesteramide hydrogels as solid electrolytes for supercapacitors
(2020-09-14)
Article
Open AccessHigh-performance hydrogels play a crucial role as solid electrolytes for flexible electrochemical supercapacitors (ESCs). More specifically, all solid-state ESCs based on renewable, biodegradable and/or biocompatible ... -
Sensitive thermal transitions of nanoscale polymer samples using the bimetallic effect: Application to ultra-thin polythiophene
(2013-06-15)
Article
Open AccessA sensitive nanocalorimetric technology based on microcantilever sensors is presented. The tech- nology, which combines very short response times with very small sample consumption, uses the bimetallic effect to detect ... -
Stochastic simulation of structural properties of natively unfolded and denatured proteins
(2012-09)
Article
Restricted access - publisher's policyA new simulation strategy based on a stochastic process has been developed and tested to study the structural properties of the unfolded state of proteins at the atomistic level. The procedure combines a generation ...
