Found results (22):

Sample simulation files for "Densities, viscosities, and diffusivities of loaded and unloaded aqueous CO2/H2S/MDEA mixtures: A molecular dynamics simulation study"
Posted on 2023-10-16T14:46:15
Sample simulation files for "A New Force Field for OH⁻ for Computing Thermodynamic and Transport Properties of H₂ and O₂ in Aqueous NaOH and KOH Solutions"
Posted on 2023-02-01T12:33:51
Data underlying the publication: Solvent-mediated outer-sphere CO2 electro-reduction mechanism over Ag111 surface
Posted on 2022-03-03T07:00:49
Data analysis programs on chemical and rheological properties of bitumen
Posted on 2023-11-20T08:39:13
Data set for "Vapor sorption in binary polymer brushes: the effect of thepolymer-polymer interface"
Posted on 2021-09-07T12:35:13
Elasticity of hcp-Fe alloys
Posted on 2020-09-11T10:50:24
Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide"
Posted on 2022-03-22T15:09:07
Data underlying the survey on Elasticity of hcp Fe-H alloy.
Posted on 2021-12-06T12:41:25
Sample simulation files for "Hydrogen Dissociation in Li-Decorated 2D Boron-Hydride and Borophene: An Ab-Initio Study"
Posted on 2022-03-22T15:08:39
Simulation files of PhD dissertation 'Molecular Simulation of Deep Eutectic Solvents'
Posted on 2022-01-26T12:03:23
Minimalistic MAPbX3 database for force field training
Posted on 2021-06-25T11:58:47
Data for "Emergence of Coupled Rotor Dynamics in Metal−Organic Frameworks via Tuned Steric Interactions"
Posted on 2021-08-12T15:59:04
Sample simulation files for "Transport properties of mixtures of acid gases with aqueous monoethanolamine solutions: A molecular dynamics study"
Posted on 2023-02-21T11:26:19
Sorption Characteristics for Polymer Brushes in Equilibrium with Solvent Vapors
Posted on 2020-10-13T06:13:45
Sample simulation files for "Interfacial Tensions, Solubilities, and Transport Properties of the H₂/H₂O/NaCl System: A Molecular Simulation Study"
Posted on 2023-03-08T14:45:23
Source code and dataset of dissertation ‘Wave propagation in mechanical metamaterials’
Posted on 2019-10-02T00:00:00
GLIC allosteric network simulation data
Posted on 2016-03-23T00:00:00
Mixed MAPbI_(3-x)Br_x database for force field training
Posted on 2023-09-21T11:30:30
Sample simulation files underlying the publication: Computation of Electrical Conductivities of Aqueous Electrolyte Solutions: Two Surfaces, One Property
Posted on 2023-08-24T08:14:11
Data underlying the publication: Bacterial histone HBb from Bdellovibrio bacteriovorus compacts DNA by bending
Posted on 2023-11-07T08:28:11
Data underlying the PhD thesis: Development of Nickel-Titanium Shape Memory Alloys via Laser Power Bed Fusion
Posted on 2023-07-07T15:20:48
Data underlying the publication: Elevated acyl-PG and menaquinone levels structurally stabilize membranes to minimize proton leakage in Caldalkalibacillus thermarum TA2.A1
Posted on 2023-09-27T15:05:04