Αποτελέσματα 1 έως 15 από 15
| Τύπος | Ημερομηνία | Τίτλος | Δημιουργός | Πλήρες κείμενο |
| 2008 | Theoretical study on tertiary amine-fluorophore photoinduced electron transfer (PET) systems | Πετσαλάκης, Ιωάννης Δ.; Λαθιωτάκης, Νεκτάριος N.; Θεοδωρακοπούλου, Γιαννούλα | |
| 2016 | Investigation of bromine atom transfer mechanism from an alkyl bromide molecule to an O-bonded alkyl group in a FAU zeolite by the ONIOM method | Papayannis D.K.; Papavasileiou K.D.; Melissas V.S. | |
| 2017 | Structural prediction of two-dimensional materials under strain | Borlido P.; Steigemann C.; Lathiotakis N.N.; Marques M.A.L.; Botti S. | |
| 2019 | Electric properties of hydrated uracil: From micro- to macrohydration | Hrivnák T.; Budzák Š.; Reis H.; Zaleśny R.; Carbonnière P.; Medveď M. | |
| 2020 | Density-inversion method for the Kohn-Sham potential: Role of the screening density | Callow, Timothy J. ; Lathiotakis, Nektarios N. ; Gidopoulos, Nikitas I. | |
| 2020 | Aromaticity and chemical bonding of chalcogen-bonded capsules featuring enhanced magnetic anisotropy | Tzeli, Demeter; Petsalakis, Ioannis D. ; Theodorakopoulos, Giannoula; Rahman, Faiz-Ur; Ballester, Pablo; Rebek, Julius; Yu, Yang | |
| 2021 | Generalized Kohn-Sham equations with accurate total energy and single-particle eigenvalue spectrum | Pitts, Thomas C; Lathiotakis, Nektarios N; Gidopoulos, Nikitas | |
| 2021 | Uniaxially Strained Graphene: Structural Characteristics and G-Mode Splitting | Kalosakas, George; Lathiotakis, Nektarios N.; Papagelis, Konstantinos | |
| 2022 | Effect of halogen doping on the electronic, electrical, and optical properties of anatase TiO2 | Filippatos, Petros-Panagis; Kelaidis, Nikolaos; Vasilopoulou, Maria; Davazoglou, Dimitris; Chroneos, Alexander | |
| 2022 | A Computational Study on Phenyldiboronic Acid-Pillared Graphene Oxide Frameworks for Gas Storage and Separation | Skarmoutsos, Ioannis; Koukaras, Emmanuel N.; Klontzas, Emmanuel | |
| 2022 | Uniaxially Strained Graphene: Structural Characteristics and G-Mode Splitting | Kalosakas, G.; Lathiotakis, N.N.; Papagelis, K. | |
| 2023 | Evaluation of Crocin as green corrosion inhibitor for aluminum in NaCl solution | Pantazopoulou, Paraskevi; Kalogeropoulou, Theodora; Theohari, Stamatina; Papamichalis, Eleftherios; Tzeli, Demeter | |
| 2023 | Effective local potentials for density and density-matrix functional approximations with non-negative screening density | Pitts, Thomas C; Bousiadi, Sofia; Gidopoulos, Nikitas I.; Lathiotakis, Nektarios N. | |
| 2023 | Electronic Structure of the Low-Lying States of the Triatomic MoS2 Molecule: The Building Block of 2D MoS2 | Mermigki, Markella Aliki; Karapetsas, Ioannis; Tzeli, Demeter | |
| 2024 | Density functional theory and enzyme studies support interactions between angiotensin receptor blockers and angiotensin converting enzyme-2: Relevance to coronavirus 2019 | Apostolopoulos, Vasso; Georgiou, Nikitas; Tzeli, Demeter; Mavromoustakos, Thomas; Moore, Graham J; Kelaidonis, Konstantinos; Matsoukas, Minos-Timotheos; Tsiodras, Sotirios; Swiderski, Jordan; Kate Gadanec, Laura; Zulli, Anthony; Chasapis, Christos; Matsoukas, John M | |
