Výsledky vyhledávání - "Raptis, V. E."

Force field development for poly(dimethylsilylenemethylene) with the aid of ab initio calculations

The molecular geometries, conformational energies, and zero-point energies of di(trimethylsilylene) methylene have been determined from high-level quantum chemistry calculations. The results are further used in the parametrization of a classical pote

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_____10561::3e1ef875fc232c20f20144d8b4eaaa21
http://olympias.lib.uoi.gr/jspui/handle/123456789/8003

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Molecular simulation of structure, thermodynamic and transport properties of polymeric membrane materials for hydrocarbon separation

Autor: Economou, I. G., Raptis, V. E., Melissas, V. S., Theodorou, D. N., Petrou, J., Petropoulos, J. H.

Molecular dynamics simulation is used to model the microscopic structure (free volume in particular) and thermodynamic properties of a silicon-containing rubbery polymer that exhibits promising membrane properties for hydrocarbon separation. For this

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=od_____10561::913b8276dbed1a8889546b6586b15e0f
http://olympias.lib.uoi.gr/jspui/handle/123456789/8516

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Periodical

Molecular Dynamics Simulation of Structure and Thermodynamic Properties of Poly(dimethylsilamethylene) and Hydrocarbon Solubility Therein: Toward the Development of Novel Membrane Materials for Hydrocarbon Separation

Autor: Raptis, V. E., Economou, I. G., Theodorou, D. N., Petrou, J., Petropoulos, J. H.

Publikováno v: Macromolecules; February 2004, Vol. 37 Issue: 3 p1102-1112, 11p

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