Exploració per tema "Hydrogen bonds"
Ara es mostren els items 1-6 de 6
-
A comparative molecular dynamics study of sulfuric and methanesulfonic acids
(2016-12-01)
Article
Accés obertThe molecular dynamics computer simulation method has been used to study sulfuric and methanesulfonic acids. Calculations have been carried out between 200 K and 400 K using reliable force fields. Thermodynamic properties, ... -
Crystalline structures and structural transitions of copolyamides derived from 1,4-diaminobutane and different ratios of glutaric and azelaic acids
(Multidisciplinary Digital Publishing Institute (MDPI), 2019-04-01)
Article
Accés obertCopolyamides derived from even 1,4-butanediamine and different mixtures of odd dicarboxylic acids with a great difference in the number of methylene groups (i.e., glutaric and azelaic acids with 3 and 7 groups, respectively) ... -
Effect of the local hydrogen bonding network on the reorientational and translational dynamics in supercritical water
(2010-02)
Article
Accés obertMolecular dynamics simulations have been performed in a wide range of densities along a near critical isotherm of supercritical water in order to reveal the interconnection between the local hydrogen bonding (HB) network ... -
Reversible changes induced by temperature in the spherulitic birefringence of nylon 6 9
(Elsevier, 2015-10-12)
Article
Accés obertSpherulitic morphologies of nylon 6 9 as an example of an even-odd nylon were studied by optical microscopy. A well-defined dependence on crystallization temperature was found. In particular, positively birefringent ... -
Visual analysis of protein-ligand interactions
(2018-06)
Article
Accés obertThe analysis of protein-ligand interactions is complex because of the many factors at play. Most current methods for visual analysis provide this information in the form of simple 2D plots, which, besides being quite space ... -
Water-water and ion-water hydrogen bonding in sulfuric acid solutions
(2019-11-01)
Article
Accés obertMolecular dynamics simulations of sulfuric acid solutions at room temperature and at concentrations up to 40¿wt% have been performed. The dissociation of the acid in water has been implicitly taken into account by assuming ...