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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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2008Theoretical study on tertiary amine-fluorophore photoinduced electron transfer (PET) systemsΠετσαλάκης, Ιωάννης Δ.; Λαθιωτάκης, Νεκτάριος N.; Θεοδωρακοπούλου, Γιαννούλα
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2016Investigation of bromine atom transfer mechanism from an alkyl bromide molecule to an O-bonded alkyl group in a FAU zeolite by the ONIOM methodPapayannis D.K.; Papavasileiou K.D.; Melissas V.S.
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2017Structural prediction of two-dimensional materials under strainBorlido P.; Steigemann C.; Lathiotakis N.N.; Marques M.A.L.; Botti S.
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2019Electric properties of hydrated uracil: From micro- to macrohydrationHrivnák T.; Budzák Š.; Reis H.; Zaleśny R.; Carbonnière P.; Medveď M.
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2020Density-inversion method for the Kohn-Sham potential: Role of the screening densityCallow, Timothy J. ; Lathiotakis, Nektarios N. ; Gidopoulos, Nikitas I.
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2020Aromaticity and chemical bonding of chalcogen-bonded capsules featuring enhanced magnetic anisotropyTzeli, Demeter; Petsalakis, Ioannis D. ; Theodorakopoulos, Giannoula; Rahman, Faiz-Ur; Ballester, Pablo; Rebek, Julius; Yu, Yang
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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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2021Uniaxially Strained Graphene: Structural Characteristics and G-Mode SplittingKalosakas, George; Lathiotakis, Nektarios N.; Papagelis, Konstantinos
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2022A Computational Study on Phenyldiboronic Acid-Pillared Graphene Oxide Frameworks for Gas Storage and SeparationSkarmoutsos, Ioannis; Koukaras, Emmanuel N.; Klontzas, Emmanuel
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2022Effect of halogen doping on the electronic, electrical, and optical properties of anatase TiO2Filippatos, Petros-Panagis; Kelaidis, Nikolaos; Vasilopoulou, Maria; Davazoglou, Dimitris; Chroneos, Alexander
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2022Uniaxially Strained Graphene: Structural Characteristics and G-Mode SplittingKalosakas, G.; Lathiotakis, N.N.; Papagelis, K.
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