Computational Study of ZIF‑8 and ZIF-67 Performance for Separation of Gas Mixtures
Krokidas, Panagiotis, Castier, Marcelo, Economou, Ioannis G
Published in Journal of physical chemistry. C (24.08.2017)
Published in Journal of physical chemistry. C (24.08.2017)
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System-size corrections for self-diffusion coefficients calculated from molecular dynamics simulations: The case of CO2, n-alkanes, and poly(ethylene glycol) dimethyl ethers
Moultos, Othonas A, Zhang, Yong, Tsimpanogiannis, Ioannis N, Economou, Ioannis G, Maginn, Edward J
Published in The Journal of chemical physics (21.08.2016)
Published in The Journal of chemical physics (21.08.2016)
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Prediction of the phase equilibria of methane hydrates using the direct phase coexistence methodology
Michalis, Vasileios K, Costandy, Joseph, Tsimpanogiannis, Ioannis N, Stubos, Athanassios K, Economou, Ioannis G
Published in The Journal of chemical physics (28.01.2015)
Published in The Journal of chemical physics (28.01.2015)
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Self-diffusion coefficient of bulk and confined water: a critical review of classical molecular simulation studies
Tsimpanogiannis, Ioannis N., Moultos, Othonas A., Franco, Luís F. M., Spera, Marcelle B. de M., Erdős, Máté, Economou, Ioannis G.
Published in Molecular simulation (24.03.2019)
Published in Molecular simulation (24.03.2019)
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ZIF-67 Framework: A Promising New Candidate for Propylene/Propane Separation. Experimental Data and Molecular Simulations
Krokidas, Panagiotis, Castier, Marcelo, Moncho, Salvador, Sredojevic, Dusan N, Brothers, Edward N, Kwon, Hyuk Taek, Jeong, Hae-Kwon, Lee, Jong Suk, Economou, Ioannis G
Published in Journal of physical chemistry. C (21.04.2016)
Published in Journal of physical chemistry. C (21.04.2016)
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Tailoring the gas separation efficiency of metal organic framework ZIF-8 through metal substitution: a computational study
Krokidas, Panagiotis, Moncho, Salvador, Brothers, Edward N, Castier, Marcelo, Economou, Ioannis G
Published in Physical chemistry chemical physics : PCCP (2018)
Published in Physical chemistry chemical physics : PCCP (2018)
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Atomistic Molecular Dynamics Simulations of CO2 Diffusivity in H2O for a Wide Range of Temperatures and Pressures
Moultos, Othonas A., Tsimpanogiannis, Ioannis N., Panagiotopoulos, Athanassios Z., Economou, Ioannis G.
Published in The journal of physical chemistry. B (22.05.2014)
Published in The journal of physical chemistry. B (22.05.2014)
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Cloud detection and classification with the use of whole-sky ground-based images
Kazantzidis, A., Tzoumanikas, P., Bais, A.F., Fotopoulos, S., Economou, G.
Published in Atmospheric research (01.09.2012)
Published in Atmospheric research (01.09.2012)
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Molecular Modeling of Imidazolium-Based [Tf2N−] Ionic Liquids: Microscopic Structure, Thermodynamic and Dynamic Properties, and Segmental Dynamics
Logotheti, Georgia−Evangelia, Ramos, Javier, Economou, Ioannis G
Published in The journal of physical chemistry. B (21.05.2009)
Published in The journal of physical chemistry. B (21.05.2009)
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Computation of partial molar properties using continuous fractional component Monte Carlo
Rahbari, A., Hens, R., Nikolaidis, I. K., Poursaeidesfahani, A., Ramdin, M., Economou, I. G., Moultos, O. A., Dubbeldam, D., Vlugt, T. J. H.
Published in Molecular physics (17.11.2018)
Published in Molecular physics (17.11.2018)
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Storage of Methane in Clathrate Hydrates: Monte Carlo Simulations of sI Hydrates and Comparison with Experimental Measurements
Papadimitriou, Nikolaos I, Tsimpanogiannis, Ioannis N, Economou, Ioannis G, Stubos, Athanassios K
Published in Journal of chemical and engineering data (11.08.2016)
Published in Journal of chemical and engineering data (11.08.2016)
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Molecular dynamics simulations of pure methane and carbon dioxide hydrates: lattice constants and derivative properties
Costandy, Joseph, Michalis, Vasileios K., Tsimpanogiannis, Ioannis N., Stubos, Athanassios K., Economou, Ioannis G.
Published in Molecular physics (16.09.2016)
Published in Molecular physics (16.09.2016)
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3D shape classification with NNLS coding and optimal projections technique
Fotopoulou, F., Oikonomou, S., Economou, G.
Published in Multimedia tools and applications (01.12.2019)
Published in Multimedia tools and applications (01.12.2019)
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Identification of conditions for increased methane storage capacity in sII and sH clathrate hydrates from Monte Carlo simulations
Papadimitriou, Nikolaos I., Tsimpanogiannis, Ioannis N., Economou, Ioannis G., Stubos, Athanassios K.
Published in The Journal of chemical thermodynamics (01.02.2018)
Published in The Journal of chemical thermodynamics (01.02.2018)
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How does long-term drought acclimation modify structure-function relationships? A quantitative approach to leaf phenotypic plasticity of barley
Bresta, P, Nikolopoulos, D, Stavroulaki, V, Vahamidis, P, Economou, G, Karabourniotis, G
Published in Functional plant biology : FPB (01.01.2018)
Published in Functional plant biology : FPB (01.01.2018)
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1-Octanol/Water Partition Coefficients of n-Alkanes from Molecular Simulations of Absolute Solvation Free Energies
Garrido, Nuno M, Queimada, António J, Jorge, Miguel, Macedo, Eugénia A, Economou, Ioannis G
Published in Journal of chemical theory and computation (08.09.2009)
Published in Journal of chemical theory and computation (08.09.2009)
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