Self-consistent molecular dynamics calculation of diffusion in higher n-alkanes

Microscopic mechanisms of diffusion of higher alkanes

(2016) N. D. Kondratyuk et al.   POLYMER SCIENCE SERIES A

Anomalous diffusion of guest molecules in hydrogen gas hydrates

(2015) G. S. Smirnov et al.   HIGH TEMPERATURE

Fourier Correlation Method for Simulating Mutual Diffusion Coefficients in Condensed Systems at Equilibrium

(2015) Joseph W. Nichols et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Complex singularities of the fluid velocity autocorrelation function

(2015) N. M. Chtchelkatchev et al.   JETP LETTERS

The behavior of cyclohexane confined in slit carbon nanopore

(2015) Yu. D. Fomin et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular hydrogen solvated in water – A computational study

(2015) Maciej Śmiechowski   JOURNAL OF CHEMICAL PHYSICS

Solution Properties of Hemicellulose Polysaccharides with Four Common Carbohydrate Force Fields

(2015) Jörg Sauter et al.   Journal of Chemical Theory and Computation

Anomalous Diffusion in Fractal Globules

(2015) M. V. Tamm et al.   PHYSICAL REVIEW LETTERS

Hydrodynamic correlations and diffusion coefficient of star polymers in solution

(2014) Sunil P. Singh et al.   JOURNAL OF CHEMICAL PHYSICS

Hydrodynamic anomalies in supercritical fluid

(2014) R. E. Ryltsev et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Dynamics Simulations of the Ionic Liquid 1-n-Butyl-3-Methylimidazolium Chloride and Its Binary Mixtures with Ethanol

(2014) Mo Chen et al.   Journal of Chemical Theory and Computation

Fully atomistic molecular-mechanical model of liquid alkane oils: Computational validation

(2014) Tsvetan K. Zahariev et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Nuclear quantum effects in liquid water from path-integral simulations using anab initioforce-matching approach

(2014) Thomas Spura et al.   MOLECULAR PHYSICS

Anomalous diffusion models and their properties: non-stationarity, non-ergodicity, and ageing at the centenary of single particle tracking

(2014) Ralf Metzler et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Structural and thermodynamic behavior of alkane chains at the liquid/vapor interface

(2013) David Alejandro Hernandez et al.   JOURNAL OF CHEMICAL PHYSICS

Long-time mean-square displacements in proteins

(2013) Derya Vural et al.   PHYSICAL REVIEW E

The power of coarse graining in biomolecular simulations

(2013) Helgi I. Ingólfsson et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

Anomalous diffusivity in ionic liquids: A molecular dynamics study

(2012) G. Ivanovskis et al.   DOKLADY PHYSICS

Thermal and Transport Properties of Six Ionic Liquids: An Experimental and Molecular Dynamics Study

(2012) Hongjun Liu et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Optimization of the OPLS-AA Force Field for Long Hydrocarbons

(2012) Shirley W. I. Siu et al.   Journal of Chemical Theory and Computation

MD simulation of self-diffusion and structure in some n-alkanes over a wide temperature range at high pressures

(2012) Huajie Feng et al.   JOURNAL OF MOLECULAR MODELING

Mode-coupling approach to polymer diffusion in an unentangled melt. I. The effect of density fluctuations

(2012) J. Farago et al.   PHYSICAL REVIEW E

Enhanced Lipid Diffusion and Mixing in Accelerated Molecular Dynamics

(2011) Yi Wang et al.   Journal of Chemical Theory and Computation

Molecular dynamics simulation of nanoparticle diffusion in dense fluids

(2011) Valery Ya. Rudyak et al.   Microfluidics and Nanofluidics

Molecular dynamics simulations of phase transition ofn-nonadecane under high pressure

(2011) Zhonghao Rao et al.   PHASE TRANSITIONS

Slow dynamics and precursors of the glass transition in granular fluids

(2011) Iraj Gholami et al.   PHYSICAL REVIEW E

Anomalous Diffusion of a Polymer Chain in an Unentangled Melt

(2011) J. Farago et al.   PHYSICAL REVIEW LETTERS

On the electric field distribution in plane and axisymmetrical partially charged stationary jets

(2009) M. S. Apfel’baum   Surface Engineering and Applied Electrochemistry

The simulation of transport processes using the method of molecular dynamics. Self-diffusion coefficient

(2008) V. Ya. Rudyak et al.   HIGH TEMPERATURE

An improved theoretical model for thermal diffusion coefficient in liquid hydrocarbon mixtures: Comparison between experimental and numerical results

(2008) Yu Yan et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular dynamics simulation of imidazolium-based ionic liquids. I. Dynamics and diffusion coefficient

(2008) M. H. Kowsari et al.   JOURNAL OF CHEMICAL PHYSICS