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Calculation of the Nucleation Barrier and Interfacial Free Energy of New-Phase nuclei by the thermodynamic integration method using molecular dynamics simulation data
Mokshin A.V., Galimzyanov B.N.
Molecular Dynamics Study of the Formation of Solid Al–C Nanocomposites
Galashev A.E., Rakhmanova O.R., Elshina L.A.
Diffusion of atoms in a dense adsorbed layer with a hexagonal structure
Prostnev A.S., Shub B.R.
Helical Structure of Nucleation in a Solution of a Chiral Trifluoroacetylated Amino Alcohol
Zanin A.M., Zlenko D.V., Litvin Y.A., Skoblin A.A., Stovbun S.V.
Mechanical property of hydrous amorphous cellulose studied by molecular dynamics
Zhu M.Z., Chen Y.F., Zhu W.B., Du X.M., Zhou J.B., Gu C., Liao R.J.
Solvation of Hydroxybenzoic and Hydroxycinnamic Acids in Supercritical Carbon Dioxide: Formation of Hydrogen Bonds with a Polar Cosolvent
Gurina D.L., Antipova M.L., Odintsova E.G., Petrenko V.E.
Conformational lability of ibuprofen in supercritical carbon dioxide
Fedorova I.V., Ivlev D.V., Kiselev M.G.
Interaction of vacancies on the Cu(001) surface
Prostnev A.S., Shub B.R.
Simulation of the diffusion of atoms in a dense adsorbed layer with a hexagonal structure
Prostnev A.S., Shub B.R.
Numerical simulation on the diffusion behavior of penetrant molecules in poly-p-xylylene and its chlorine substituent polymers
He J.C., Zhou Y.L., Fan C.G., Shuai M.B., Li Y.J.
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