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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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2021Heterotrimetallic tetrathiomolybdate and tetrathiotungstate complexes of rhodium(I) and copper(I) with Rh-Mo(W)-Cu interactionsCharalampous, Elena; Xamonaki, Nikoletta; Asimakopoulos, Anastasios; Kritikou, Anastasia; Bethanis, Kostas; Chrissanthopoulos, Athanassios; Choinopoulos, Ioannis; Simandiras, Emmanuel; Koinis, Spyros
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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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2021The role of electric field, peripheral chains, and magnetic effects on significant 1H upfield shifts of the encapsulated molecules in chalcogen-bonded capsulesTzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Rahman, Faiz-Ur; Yu, Yang; Rebek, Julius
Open access
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2022Evaluating the performance of ReaxFF potentials for sp2 carbon systems (graphene, carbon nanotubes, fullerenes) and a new ReaxFF potentialFthenakis, Zacharias G; Petsalakis, Ioannis D.; Tozzini, Valentina; Lathiotakis, Nektarios N.
Open access
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2022Vapor–liquid–solid growth and properties of one dimensional PbO and PbO/SnO2 nanowiresKelaidis, Nikolaos; Zervos, Matthew; Lathiotakis, Nektarios N.; Chroneos, Alexander; Tanasă, Eugenia; Vasile, Eugeniu
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2021Uniaxially Strained Graphene: Structural Characteristics and G-Mode SplittingKalosakas, George; Lathiotakis, Nektarios N.; Papagelis, Konstantinos
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