Zobrazeno 1 - 10
of 245
pro vyhledávání: '"Samios J"'
Publikováno v:
In Journal of Molecular Liquids November 2017 245:42-51
The present study reports a systematic analysis of a wide variety of structural, thermodynamic, and dynamic properties of supercritical water along the near-critical isotherm ofT= 1.03Tcand up to extreme pressures, using molecular dynamics and Monte
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https://explore.openaire.eu/search/publication?articleId=od______2127::433289d369c54c1738b9dfae2255c671
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025554
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025554
Autor:
Kainourgiakis, E. Samios, J.
We report on the micellization behavior of the cationic surfactant N,N,N-decyltrimethyl ammonium chloride in water, studied via an explicit-solvent, very long atomistic molecular dynamics simulation. We aim at systematically exploring the related pro
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https://explore.openaire.eu/search/publication?articleId=od______2127::372ea91c15a1e7acad75580d1d63d511
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025603
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025603
The effect of the addition of a small amount of ethanol cosolvent in supercritical CO2 on the solvation structure and dynamics of caffeine in a mixed supercritical solvent has been investigated using a systematic multiscale molecular modeling approac
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https://explore.openaire.eu/search/publication?articleId=od______2127::5d613afbc6e954c56bfb4c8d6003a77f
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:2980701
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:2980701
The hydration structure of the Favipiravir antiviral drug, at infinite dilution in water, was investigated by employing a systematic molecular modelling approach. An effective interaction potential model was employed for Favipiravir, using the intram
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https://explore.openaire.eu/search/publication?articleId=od______2127::63435721b151407568ee243a5462f4d2
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025710
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025710
Autor:
Marinakis, S., Samios, J. *
Publikováno v:
In The Journal of Supercritical Fluids 2005 34(1):81-89
The molecular dynamics simulation technique was extensively used to explore systematically the nanoindentation of a phospholipid bilayer by a silicon-carbide nanotube. Three different indentation speeds were examined. In addition, the process of remo
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https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:2977056
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:2977056
The microscopic structure of Ar-N2 supercritical mixtures was obtained using neutron scattering experiments at temperatures between 128.4 and 154.1 K, pressures between 48.7 and 97.8 bar and various mole fractions. Molecular Dynamics simulations (MD)
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https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025911
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025911
Molecular Dynamics simulations have been employed to investigate the local structural and dynamic properties of low-concentrated water and HOD dissolved in an ionic liquid consisting of the 1-ethyl-3-methylimidazolium cation and the bis(trifluorometh
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https://explore.openaire.eu/search/publication?articleId=od______2127::4f49ef9ba580e9d5b97043945ecc18af
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025915
https://pergamos.lib.uoa.gr/uoa/dl/object/uoadl:3025915
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