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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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2021Preparation of hydrogen, fluorine and chlorine doped and co-doped titanium dioxide photocatalysts: a theoretical and experimental approachFilippatos, Petros-Panagis; Soultati, Anastasia; Kelaidis, Nikolaos; Petaroudis, Christos; Alivisatou, Anastasia-Antonia; Drivas, Charalampos; Kennou, Stella; Agapaki, Eleni; Charalampidis, Georgios; Yusoff, Abd Rashid Bin Mohd; Lathiotakis, Nektarios N. ; Coutsolelos, Athanassios G.; Davazoglou, Dimitris; Vasilopoulou, Maria; Chroneos, Alexander
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2021N,N-andN,O-6-memberedRingperi-AnnelationinNaphthalene.Is it a Heteroringor merelyaperi-Heterobridge?Tzeli, D.; Tsoungas, P. G.
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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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2021Width Dependent Elastic Properties of Graphene NanoribbonsKalosakas, George; Lathiotakis, Nektarios N.; Papagelis, Konstantinos
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2021Generalized Kohn-Sham equations with accurate total energy and single-particle eigenvalue spectrumPitts, Thomas C; Lathiotakis, Nektarios N; Gidopoulos, Nikitas
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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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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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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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2020Porous carbon nanotube networks and pillared graphene materials exhibiting high SF6 adsorption uptake and separation selectivity of SF6/N2 fluid mixtures: A comparative molecular simulation studySkarmoutsos, Ioannis; Koukaras, Emmanuel N.; Galiotis, Costas; Froudakis, George E.; Klontzas, Emmanuel
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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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