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Calculation of the Free Energy of Mixing as a Tool for Assessing and Improving Potential Models: The Case of the <i>N</i>,<i>N</i>-Dimethylformamide–Water System

artículo científico publicado en 2021

Computer Simulation of the Surface of Aqueous Ionic and Surfactant Solutions

artículo científico publicado en 2021

Correction to "Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation".

artículo científico publicado en 2017

Distance Angle Descriptors of the Interionic and Ion-Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study

scientific article published on 03 July 2019

Dynamics in the BMIM PF6/acetonitrile mixtures observed by femtosecond optical Kerr effect and molecular dynamics simulations

artículo científico publicado en 2020

Effect of the Mixture Composition of BmimBF<sub>4</sub>–Acetonitrile on the Excited-State Relaxation Dynamics of a Solar-Cell Dye D149: An Ultrafast Transient Absorption Study

artículo científico publicado en 2021

Investigation of the Liquid–Vapor Interface of Water–Formamide Mixtures by Computer Simulation and Intrinsic Surface Analysis

artículo científico publicado en 2018

Local Structure of DMF–Water Mixtures, as Seen from Computer Simulations and Voronoi Analysis

artículo científico publicado en 2022

Miscibility and Thermodynamics of Mixing of Different Models of Formamide and Water in Computer Simulation

artículo científico publicado en 2017

Thermodynamics of Mixing Primary Alkanolamines with Water

artículo científico publicado en 2018

Thermodynamics of mixing methanol with supercritical CO2 as seen from computer simulations and thermodynamic integration

scientific article published on 14 May 2020

Voronoi Polyhedra as a Tool for the Characterization of Inhomogeneous Distribution in 1-Butyl-3-methylimidazolium Cation-Based Ionic Liquids

artículo científico publicado en 2020

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