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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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2020Confinement effects on the properties of polar hydrogen-bonded fluids: A showcase on methanol adsorbed in three-dimensional pillared graphene and carbon nanotube networksSkarmoutsos, Ioannis; Koukaras, Emmanuel N.; Froudakis, George E.; Maurin, Guillaume; Klontzas, Emmanuel
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2020Accurate nonlinear optical properties of solvated para-nitroaniline predicted by an electrostatic discrete local field approachHrivnák, Tomáš; Reis, Heribert; Neogrády, Pavel; Zaleśny, Robert; Medved', Miroslav
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2021The Impact of Ionic Liquid Loading in Three-Dimensional Carbon Nanotube Networks on the Separation of CO2/CH4 Fluid Mixtures: Insights from Molecular SimulationsSkarmoutsos, Ioannis; Koukaras, Emmanuel N.; Klontzas, Emmanuel
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2021The Polar Cosolvent Effect on Caffeine Solvation in Supercritical CO2–Ethanol Mixtures: A Molecular Modeling ApproachSkarmoutsos, Ioannis; Petsalakis, Ioannis D.; Samios, Jannis
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2021On the Different Faces of the Supercritical Phase of Water at a Near-Critical Temperature: Pressure-Induced Structural Transitions Ranging from a Gaslike Fluid to a Plastic Crystal PolymorphSkarmoutsos, Ioannis; Henao, Andrés; Guardia, Elvira; Samios, Jannis
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20223-input AND molecular logic gate with enhanced fluorescence output: The key atom for the accurate prediction of the spectraTzeli, Demeter; Tzeliou, Christina Eleftheria
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2022Molybdenum-Sulfur Bond: Electronic Structure of Low-Lying States of MoSTzeli, Demeter; Karapetsas, Ioannis; Merriles, Dakota M; Ewigleben, Joshua C; Morse, Michael D
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2023Water-Stable etb-MOFs for Methane and Carbon Dioxide StorageTsangarakis, Constantinos; Azmy, Ali; Tampaxis, Christos; Zibouche, Nourdine; Klontzas, Emmanuel; Tylianakis, Emmanuel; Froudakis, George E; Steriotis, Theodore; Spanopoulos, Ioannis; Trikalitis, Pantelis N
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2024Hydration effects on thermal transitions and molecular mobility in Xanthan gum polysaccharidesTegopoulos, Sokratis N; Papagiannopoulos, Aristeidis; Kyritsis, Apostolos
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