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2014β-Nitroso-o-quinone methides: Potent intermediates in organic chemistry and biology. the impact of the NO group on their structure and reactivity profile: A theoretical insightKozielewicz P.; Tsoungas P.G.; Tzeli, D.; Petsalakis I.D.; Zloh M.
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2015Encapsulation of monomers, homodimers and heterodimers of amides and carboxylic acids in three non-covalent assembliesTzeli, D.; Petsalakis I.D.; Theodorakopoulos G.; Rebek, Julius
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2015Reversible encapsulation in a covalent capsuleTzeli, D.; Petsalakis I.D.; Theodorakopoulos G.; Rebek, Julius
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2015Intramolecular cyclization of β-nitroso-o-quinone methides. A theoretical endoscopy of a potentially useful innate 'reclusive' reactionTzeli, D.; Tsoungas P.G.; Petsalakis I.D.; Kozielewicz P.; Zloh M.
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2016Experimental and theoretical spectroscopic studies of branchlet-like SrCO3 superarchitectureDivya A.; Mathavan T.; Arunarajeswari P.; Archana J.; Hayakawa Y.; Tzeli, Demeter; Benial A.M.F.
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2016Molecular logic gates based on benzo-18-crown-6 ether of styrylquinoline: A theoretical study†Tzeli, D.; Petsalakis I.D.; Theodorakopoulos G.
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20162, 2′-Dihydroxybenzophenones and Derivatives. Efficient Synthesis and Structure Endoscopy by DFT and NMR. Credentials as Potent Antiinflammatory AgentsTzeli, D.; Kozielewicz P.; Zervou M.; Potamitis C.; Kokkotou K.; Rak B.; Petrou A.; Tsolaki E.; Gavalas A.; Geronikaki A.; Petsalakis I.D.; Tsoungas P.G.
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2017Time-evolution study of photoinduced charge-transfer in tertiary amine-fluorophore systemsTzeli, D.; Mercouris T.; Theodorakopoulos G.; Petsalakis I.D.
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2017Intramolecular single H bonding vs bifurcation in tuning the conformation of 2,2′-dihydroxybenzophenone and its derivatives: a DFT insightTzeli, D.; Tsoungas P.G.; Petsalakis I.D.; Kozielewicz P.
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2018The activation of carbon dioxide by first row transition metals (Sc-Zn)Blaziak K.; Tzeli, D.; Xantheas S.S.; Uggerud E.
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2018Naphthalene Peri Annelated N,N- and N,O-Heterocycles: The Effect of Heteroatom-Guided Peri-Fusion on Their Structure and Reactivity Profiles-A Theoretical EndoscopyTzeli, D.; Kozielewicz P.; Zloh M.; Antonow D.; Tsoungas P.G.; Petsalakis I.D.
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2019Theoretical investigation on the binding of alkyl halides and cyclohexyl halides in water-soluble cavitandsPetsalakis I.D.; Tzeli, D.; Theodorakopoulos G.; Rebek, Julius
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2019Theoretical study of the photophysical processes of a styryl-bodipy derivative eliciting an AND molecular logic gate responseTzeli, D.; Petsalakis I.D.; Theodorakopoulos G.
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2019Physical insights into molecular sensors, molecular logic gates, and photosensitizers in photodynamic therapyTzeli, D.; Petsalakis I.D.
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2020The solvent effect on a styryl‐bodipy derivative functioning as an AND molecular logic gateTzeli, Demeter; Petsalakis, Ioannis D. ; Theodorakopoulos, Giannoula
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2020Reactivity and mechanism of photo- and electrocatalytic hydrogen evolution by a diimine copper(I) complexDrosou, Maria; Kamatsos, Fotios; Ioannidis, George; Zarkadoulas, Athanasios; Mitsopoulou, Christiana A.; Papatriantafyllopoulou, Constantina; Tzeli, Demeter
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2020Chalcogen bonding and hydrophobic effects force molecules into small spacesRahman, Faiz-Ur; Tzeli, Demeter; Petsalakis, Ioannis D. ; Theodorakopoulos, Giannoula; Ballester, Pablo; Rebek, Julius; Yu, Yang
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2020Quadruple bonding in the ground and low-lying excited states of the diatomic molecules TcN, RuC, RhB, and PdBeTzeli, Demeter; Karapetsas, Ioannis
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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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2021N,N-andN,O-6-memberedRingperi-AnnelationinNaphthalene.Is it a Heteroringor merelyaperi-Heterobridge?Tzeli, D.; Tsoungas, P. G.
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