System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers

Gaussian-Charge Polarizable and Nonpolarizable Models for CO2

(2016) Hao Jiang et al.   JOURNAL OF PHYSICAL CHEMISTRY B

System size effects on calculation of the viscosity of extended molecules

(2015) Stefano Bernardi et al.   CHEMICAL ENGINEERING SCIENCE

Self-Diffusion in Molecular Fluids and Noble Gases: Available Data

(2015) Octavio Suárez-Iglesias et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Effect of the computational domain size and shape on the self-diffusion coefficient in a Lennard-Jones liquid

(2015) Gota Kikugawa et al.   JOURNAL OF CHEMICAL PHYSICS

Explicit expressions of self-diffusion coefficient, shear viscosity, and the Stokes-Einstein relation for binary mixtures of Lennard-Jones liquids

(2015) Norikazu Ohtori et al.   JOURNAL OF CHEMICAL PHYSICS

Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method

(2015) Yong Zhang et al.   Journal of Chemical Theory and Computation

Estimating Error in Diffusion Coefficients Derived from Molecular Dynamics Simulations

(2015) Gaurav Pranami et al.   Journal of Chemical Theory and Computation

Diffusion in bulk liquids: finite-size effects in anisotropic systems

(2015) Alexandru Botan et al.   MOLECULAR PHYSICS

Atomistic molecular dynamics simulations of H2O diffusivity in liquid and supercritical CO2

(2015) Othonas A. Moultos et al.   MOLECULAR PHYSICS

Explicit expression for the Stokes-Einstein relation for pure Lennard-Jones liquids

(2015) Norikazu Ohtori et al.   PHYSICAL REVIEW E

Transport properties of carbon dioxide and methane from molecular dynamics simulations

(2014) C. G. Aimoli et al.   JOURNAL OF CHEMICAL PHYSICS

Atomistic Molecular Dynamics Simulations of CO2 Diffusivity in H2O for a Wide Range of Temperatures and Pressures

(2014) Othonas A. Moultos et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Molecular Simulation of CO2- and CO3-Brine-Mineral Systems

(2013) L. M. Hamm et al.   Reviews in Mineralogy & Geochemistry

Universal correlation of self-diffusion coefficients of model and real fluids based on residual entropy scaling law

(2012) Raquel V. Vaz et al.   CHEMICAL ENGINEERING SCIENCE

Computational studies of ionic liquids: Size does matter and time too

(2012) Sonja Gabl et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulation of the effect of bond flexibility on the transport properties of water

(2012) Gabriele Raabe et al.   JOURNAL OF CHEMICAL PHYSICS

On the molecular diffusion coefficients of dissolved , and and their dependence on isotopic mass

(2011) Richard E. Zeebe   GEOCHIMICA ET COSMOCHIMICA ACTA

Prediction of self-diffusion coefficient and shear viscosity of water and its binary mixtures with methanol and ethanol by molecular simulation

(2011) Gabriela Guevara-Carrion et al.   JOURNAL OF CHEMICAL PHYSICS

Density, viscosity, and solubility of carbon dioxide in glymes

(2010) Daisuke Kodama et al.   FLUID PHASE EQUILIBRIA

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Polarizable Force Field Development and Molecular Dynamics Simulations of Ionic Liquids

(2009) Oleg Borodin   JOURNAL OF PHYSICAL CHEMISTRY B