Zobrazeno 1 - 10
of 11
pro vyhledávání: '"Eric Nies"'
Autor:
Mikael Monga Mulunda, Guy Koeckelberghs, Ivo F.J. Vankelecom, Zidan Zhang, Eric Nies, Cédric Van Goethem
Publikováno v:
European Polymer Journal. 101:248-254
A chiral binaphthalene is bridged at the 2,2′-positions with methylene (CH2), ethylene (C2H4), propylene (C3H6) and butylene (C4H8) linkers, with the aim to vary the binaphthalene dihedral angle and hence to study the influence of the latter on the
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5138fe93e63c5f0c8d09a3d58b48469f
https://doi.org/10.1016/j.eurpolymj.2018.02.034
https://doi.org/10.1016/j.eurpolymj.2018.02.034
Publikováno v:
Journal of Computational Chemistry. 39:648-664
We present a comprehensive approach for reverse mapping of complex polymer systems in which the connectivity is created by the simulation of chemical reactions at the coarse-grained scale. Within the work, we use a recently developed generic adaptive
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3891134c678828ceec72e5e55213f8b4
https://doi.org/10.1002/jcc.25129
https://doi.org/10.1002/jcc.25129
Publikováno v:
Journal of Chemical Theory and Computation. 12:5549-5562
In this paper, we propose a new generic approach for reverse mapping from coarse-grained to atomistic scale based on the adaptive resolution scheme (AdResS). In AdResS simulation, two spatial domains, modeled at two different scales, are brought toge
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5fc05ecb1f14ac9060af43106cebe821
https://doi.org/10.1021/acs.jctc.6b00595
https://doi.org/10.1021/acs.jctc.6b00595
Autor:
Eric Nies, Guy Koeckelberghs, Ivo F.J. Vankelecom, Cédric Van Goethem, Mikael Monga Mulunda, Zidan Zhang
© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim A chain growth polymerization of a branched polythiophene (BT) using a Pd(Ruphos) catalyst, as a promising route to synthesize microporous conjugated polymers with well-defined structures is reported
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::20b84ac50dcb05c5b537aa7ff829696a
https://lirias.kuleuven.be/handle/123456789/649057
https://lirias.kuleuven.be/handle/123456789/649057
Publikováno v:
Polymer. 41:8597-8602
The solution behaviour of the system poly(N-vinyl caprolactam)/water has been studied. Experiments and theoretical calculations indicate a typical Flory–Huggins (Type I) demixing behaviour with a lower critical solution temperature (LCST). The crit
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::535b64312ec21ecc84b4a39d8320a048
https://doi.org/10.1016/s0032-3861(00)00255-x
https://doi.org/10.1016/s0032-3861(00)00255-x
Publikováno v:
Journal of Molecular Structure, 554(1), 55-68. Elsevier
The phase behaviour of linear poly(N-isopropylacrylamide) (PNIPA) and chemically cross-linked PNIPA in water has been determined by calorimetric and optical techniques. Experiments for the linear polymer were conducted for three different molar masse
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::151c6d63c25b7e31f6e09fc75ed133d5
https://doi.org/10.1016/s0022-2860(00)00559-7
https://doi.org/10.1016/s0022-2860(00)00559-7
Autor:
Garrett S. Bullock, PT, DPT, DPhil, Kristen F. Nicholson, PhD, Brian R. Waterman, MD, Eric Niesen, BA, Paul Salamh, PT, DPT, PhD, Charles A. Thigpen, PT, PhD, Ellen Shanley, PT, PhD, OCS, Laurie L. Devaney, PT, ATC, OCS, FAAOMPT, PhD, John M. Tokish, MD, Gary S. Collins, Bsc (Hons), PhD, Nigel K. Arden, MD, FRCP, Stephanie R. Filbay, BPhty (Hons), PhD
Publikováno v:
JSES International, Vol 5, Iss 5, Pp 912-919 (2021)
Background: Baseball has specific sport and positional demands that may modify joint pain compared with other sports. Persistent joint pain reduces function and is an underlying reason for seeking medical care. The pain and functional status of playe
Externí odkaz:
https://doaj.org/article/4a3cc49e816a435ab2a6d4bad562a9b5
Autor:
Eric Nies, S Vleeshouwers
Publikováno v:
Colloid & Polymer Science. 274:105-111
A stochastic theory presented earlier is applied to predict the glass transition temperatureTg for several amorphous polymers, as well as the pressure and cooling rate dependence ofTg and several thermal properties of the formed glass, such as relaxa
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a413b82566c34945d80c8b122b49479e
https://doi.org/10.1007/bf00663442
https://doi.org/10.1007/bf00663442
Publikováno v:
The journal of physical chemistry. B. 112(30)
The distribution of a semiflexible chain in the volume of two interconnected spherical cavities of equal size has been investigated by using Monte Carlo simulations. The chain possessed an extension exceeding that of the cavity, leading to large prob
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a2c3e0d2947bf27e3cd092e3a04325d5
https://pubmed.ncbi.nlm.nih.gov/18597516
https://pubmed.ncbi.nlm.nih.gov/18597516
Publikováno v:
Physical review. E, Statistical, nonlinear, and soft matter physics. 75(6 Pt 1)
The effect of polymer polydispersity on the depletion interaction between two plates immersed in a nonadsorbing polymer solution is studied by self-consistent-field theory. The depletion potential is calculated numerically for the Schulz molecular we
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::4e02601371751e7951409ecc82276a51
https://pubmed.ncbi.nlm.nih.gov/17677290
https://pubmed.ncbi.nlm.nih.gov/17677290