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1.
Structure and self-diffusivity of mixed-cation electrolytes between neutral and charged graphene sheets.
J Chem Phys
; 160(9)2024 Mar 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-38426518
2.
Structure and self-diffusivity of alkali-halide electrolytes in neutral and charged graphene nanochannels.
Phys Chem Chem Phys
; 25(32): 21579-21594, 2023 Aug 16.
Artículo
en Inglés
| MEDLINE | ID: mdl-37548441
3.
Adsorption of amphiphilic grafted polymers as polymer corrosion inhibitors: insights from mesoscopic simulations.
Phys Chem Chem Phys
; 24(19): 11992-12001, 2022 May 18.
Artículo
en Inglés
| MEDLINE | ID: mdl-35532223
4.
Molecular dynamics of preferential adsorption in mixed alkali-halide electrolytes at graphene electrodes.
J Chem Phys
; 157(8): 084704, 2022 Aug 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-36049996
5.
Structural properties of cationic surfactant-fatty alcohol bilayers: insights from dissipative particle dynamics.
Soft Matter
; 17(43): 9967-9984, 2021 Nov 10.
Artículo
en Inglés
| MEDLINE | ID: mdl-34704992
6.
Generalised dissipative particle dynamics with energy conservation: density- and temperature-dependent potentials.
Phys Chem Chem Phys
; 21(45): 24891-24911, 2019 Dec 07.
Artículo
en Inglés
| MEDLINE | ID: mdl-31690923
7.
Dissipative particle dynamics with reactions: Application to RDX decomposition.
J Chem Phys
; 151(11): 114112, 2019 Sep 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-31542009
8.
Controlled Transport of Flexible Polymers in Slit and Cylindrical Pores Coated with Polymer Brushes: Insight from Dissipative Particle Dynamics.
J Nanosci Nanotechnol
; 19(5): 2943-2949, 2019 05 01.
Artículo
en Inglés
| MEDLINE | ID: mdl-30501804
9.
Adsorption of amphiphilic graft copolymers in solvents selective for the grafts on a lyophobic surface: a coarse-grained simulation study.
Phys Chem Chem Phys
; 20(9): 6533-6547, 2018 Feb 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-29446424
10.
Concentrated aqueous sodium chloride solution in clays at thermodynamic conditions of hydraulic fracturing: Insight from molecular dynamics simulations.
J Chem Phys
; 148(22): 222806, 2018 Jun 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-29907044
11.
Chemical potentials of alkaline earth metal halide aqueous electrolytes and solubility of their hydrates by molecular simulation: Application to CaCl2, antarcticite, and sinjarite.
J Chem Phys
; 148(22): 222832, 2018 Jun 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-29907058
12.
Adsorption and Diffusion of C1 to C4 Alkanes in Dual-Porosity Zeolites by Molecular Simulations.
Langmuir
; 33(42): 11126-11137, 2017 10 24.
Artículo
en Inglés
| MEDLINE | ID: mdl-28689411
13.
Flow and aggregation of rod-like proteins in slit and cylindrical pores coated with polymer brushes: an insight from dissipative particle dynamics.
Soft Matter
; 13(8): 1634-1645, 2017 Feb 22.
Artículo
en Inglés
| MEDLINE | ID: mdl-28133676
14.
Modelling aqueous solubility of sodium chloride in clays at thermodynamic conditions of hydraulic fracturing by molecular simulations.
Phys Chem Chem Phys
; 19(25): 16586-16599, 2017 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-28613298
15.
Highly grafted polystyrene/polyvinylpyridine polymer gold nanoparticles in a good solvent: effects of chain length and composition.
Soft Matter
; 12(15): 3600-11, 2016 Apr 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-26980360
16.
The self-assembly of copolymers with one hydrophobic and one polyelectrolyte block in aqueous media: a dissipative particle dynamics study.
Phys Chem Chem Phys
; 18(24): 16127-36, 2016 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-27254381
17.
The electrostatic co-assembly in non-stoichiometric aqueous mixtures of copolymers composed of one neutral water-soluble and one polyelectrolyte (either positively or negatively charged) block: a dissipative particle dynamics study.
Phys Chem Chem Phys
; 18(24): 16137-51, 2016 Jun 28.
Artículo
en Inglés
| MEDLINE | ID: mdl-27253089
18.
Free-energy calculations using classical molecular simulation: application to the determination of the melting point and chemical potential of a flexible RDX model.
Phys Chem Chem Phys
; 18(11): 7841-50, 2016 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-26661376
19.
Surface structure of imidazolium-based ionic liquids: Quantitative comparison between simulations and high-resolution RBS measurements.
J Chem Phys
; 144(11): 114702, 2016 Mar 21.
Artículo
en Inglés
| MEDLINE | ID: mdl-27004888
20.
Surface segregation in a binary mixture of ionic liquids: Comparison between high-resolution RBS measurements and moleculardynamics simulations.
J Chem Phys
; 145(18): 184704, 2016 Nov 14.
Artículo
en Inglés
| MEDLINE | ID: mdl-27846689