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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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2013Compression in encapsulated carboxylic acid homodimersTzeli D.; Petsalakis I.D.; Theodorakopoulos G.
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2013Theoretical study on the electronic structure, formation and absorption spectra of lithium, sodium and potassium complexes of N-confused tetraphenylporphyrinTzeli D.; Petsalakis I.D.; Theodorakopoulos G.
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2013Theoretical study of free and encapsulated carboxylic acid and amide dimersTzeli D.; Petsalakis I.D.; Theodorakopoulos G.; Ajami D.; Rebek Jr. J.
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2014The role of the host-guest interactions in the relative stability of compressed encapsulated homodimers and heterodimers of amides and carboxylic acidsTzeli D.; Petsalakis I.D.; Theodorakopoulos G.; Ajami D.; Rebek Jr. J.
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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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2014Arene-fused 1,2-oxazole N-oxides and derivatives. the impact of the N-O dipole and substitution on their aromatic character and reactivity profile. Can it be a useful structure in synthesis? A theoretical insightKozielewicz P.; Tzeli D.; Tsoungas P.G.; 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 J.; Jr.
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2015Reversible encapsulation in a covalent capsuleTzeli D.; Petsalakis I.D.; Theodorakopoulos G.; Rebek J.; Jr.
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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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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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2016Experimental and theoretical spectroscopic studies of branchlet-like SrCO3 superarchitectureDivya A.; Mathavan T.; Arunarajeswari P.; Archana J.; Hayakawa Y.; Tzeli D.; 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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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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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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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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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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2019Theoretical investigation on the binding of alkyl halides and cyclohexyl halides in water-soluble cavitandsPetsalakis I.D.; Tzeli D.; Theodorakopoulos G.; Rebek J.; Jr.
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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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