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Self-Assembly of Alkylammonium Chains on Montmorillonite: Effect of Interlayer Cations, CEC, and Chain Length
Chen H., Li Y., Zhou Y., Wang S., Zheng J., He J.
Ab initio molecular dynamics simulation of pressure-induced phase transition in MgS
Begeç E., Eker S., Bozdemir S.
Recombination of ions of a dense ion plasma in a fluorine atmosphere
Lankin A.
Cooperativity in Molecular Dynamics Structural Models and the Dielectric Spectra of 1,2-Ethanediol
Usacheva T.
Properties of solvate shells and the mobility of ions, according to molecular dynamics data
Lankin A., Norman G., Orekhov M.
Analysis of Decomposition for Structure I Methane Hydrate by Molecular Dynamics Simulation
Wei N., Sun W., Meng Y., Liu A., Zhou S., Guo P., Fu Q., Lv X.
Computational study of the properties of silicon thin films on graphite
Galashev A., Ivanichkina K.
Molecular dynamics simulation of the thermodynamic properties of mercury at pressures below 2.5 GPa and temperatures below 10000 K
Belashchenko D.
Formation of solvate structures by the ortho-, meta-, and para-isomers of hydroxybenzoic acid in supercritical fluid
Antipova M., Gurina D., Odintsova E., Petrenko V.
Molecular dynamics models of pores in the liquid monoethanolamine structure
Belashchenko D., Rodnikova M., Balabaev N., Solonina I.
Molecular-dynamic study of liquid ethylenediamine
Balabaev N., Kraevskii S., Rodnikova M., Solonina I.
On the applicability of Young–Laplace equation for nanoscale liquid drops
Yan H., Wei J., Cui S., Xu S., Sun Z., Zhu R.
Molecular dynamics simulation of impact of palladium clusters on the zirconium substrate
Wang K., Liu J., Chen Q., Sun W., Ni A., Zhang C.
Numerical simulation of the solvate structures of acetylsalicylic acid in supercritical carbon dioxide containing polar co-solvents
Petrenko V., Antipova M., Gurina D., Odintsova E., Kumeev R., Golubev V.
Molecular-dynamic simulations of the thermophysical properties of hexanitrohexaazaisowurtzitane single crystal at high pressures and temperatures
Kozlova S., Gubin S., Maklashova I., Selezenev A.
Molecular dynamics simulation of self-diffusion coefficients for several alkanols
Li Z., Lai S., Gao W., Chen L.
V-structures of ethylene glycol and monoethanolamine in the temperature range of the liquid phase
Balabaev N., Rodnikova M., Solonina I., Shirokova E., Sirotkin D.
Effect of pressure on the structure and dynamics of hydrogen bonds in ethylene glycol–water mixtures: Numerical simulation data
Antipova M., Gurina D., Makarov D., Egorov G., Petrenko V.
Mechanisms of the Diffusion of Nonpolar Substances in a Hydrophilic Ionic Liquid
Atamas’ N.
Theoretical calculations of high-pressure phases of NiF2: An ab initio constant-pressure study
Kürkçü C., Merdan Z., Öztürk H.
Viscosity of Aluminum during the Glass Transition Process, According to Molecular Dynamics
Kirova E., Norman G., Pisarev V.
Molecular dynamics simulation of the structure and thermodynamic properties of liquid rubidium at pressures of up to 10 GPa and temperatures of up to 3500 K
Belashchenko D.
On the structures of ethylene glycol, monoethanolamine, and ethylenediamine in the liquid phase
Balabaev N., Kraevskii S., Rodnikova M., Solonina I.
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