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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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1989Structure and Vibrational Analysis of Protonated Hydrogen-PeroxideΒαλταζάνος, Πέτρος; Σημαντήρας, Eμμανουήλ; Νικολαΐδης, Κλεάνθης A.
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1991Nonclassical Hydrogen Complexes of the Alkaline-EarthsΣημαντήρας, Eμμανουήλ; Νικολαΐδης, Κλεάνθης A.
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1992Prediction of Nontransition-Metal Hydrogen ComplexesΝικολαΐδης, Κλεάνθης A.; Σημαντήρας, Eμμανουήλ
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1994Prediction and Characterization of Magnesium Fluoride Dimers and Their Nonclassical Hydrogen ComplexesΣημαντήρας, Eμμανουήλ; Νικολαΐδης, Κλεάνθης A.
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1996Prediction of nonclassical hydrogen complexes of nontransition metalsΝικολαΐδης, Κλεάνθης A.; Σημαντήρας, Eμμανουήλ
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2003A theoretical study on the solvolytic reactivity of the [Re-3 (mu-Cl-3)Cl-9](n-) clusters (n=3, 4) using ab initio and density functional theory calculationsPsaroudakis, N.; Mertis, K.; Liakos, D. G.; Σημαντήρας, Eμμανουήλ
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2004Theoretical study of glass systems using ab initio molecular electronic structure theory. I. Lithium metaphosphate glassΣημαντήρας, Eμμανουήλ; Liakos, D. G.
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2007Theoretical investigation of the stepwise hydrolysis of the [Re-3(mu-Cl)(3)Cl-9](3-) anionLiakos, D. G.; Σημαντήρας, Eμμανουήλ; Psaroudakis, N.; Mertis, K.
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2008Structural properties of lithium metaphosphate glasses by ab initio molecular electronic structure calculationsLiakos, Dimitrios G.; Σημαντήρας, Eμμανουήλ
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2008Theoretical study of glass systems using molecular electronic structure theory. 2. Structure and spectroscopy of the B2O3 glassLiakos, D. G.; Σημαντήρας, Eμμανουήλ
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2012Theoretical Elucidation of a Classic Reaction: Protonation of the Quadruple Bond of the Octachlorodimolybdate(II,II) [Mo2Cl8](4-) AnionΣημαντήρας, Eμμανουήλ; Tsakiroglou, Metaxia; Psaroudakis, Nikolaos; Liakos, Dimitrios G.; Mertis, Konstantinos
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2013Which component of the quadruple bond breaks first upon protonation of the octachlorodimetallate anions [MM′Cl8]4-, M,M′ = Mo, W? A theoretical study of reactivity, mechanism and bondingSimandiras E.D.; Psaroudakis N.; Mertis K.
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2013Theoretical prediction of new Kubas four centre H2 complexes involving dimolybdate clustersSimandiras E.D.; Liakos D.G.
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2014Kubas complexes extended to four centers; A theoretical prediction of novel dihydrogen coordination in bimetallic tungsten and molybdenum compoundsSimandiras E.D.; Liakos D.G.; Psaroudakis N.; Mertis K.
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2016Tetrathiomolybdate Complexes of Rhodium(I) with Molybdenum-Rhodium InteractionsXamonaki N.; Asimakopoulos A.; Balafas A.; Dasenaki M.; Choinopoulos I.; Coco S.; Simandiras E.; Koinis S.
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2017Synthesis, thermal and structural properties of pure TeO2 glass and zinc-tellurite glassesTagiara N.S.; Palles D.; Simandiras E.D.; Psycharis V.; Kyritsis A.; Kamitsos E.I.
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2019A computational investigation of stereochemical preferences in the oxidative addition of allylic substrates on Mo(CO)3L: L = (S,S)-(2-pyridinecarboxamide)-(2-phenylcarboxamide)-1,2-cyclohexaneSarantopoulos N.; Simandiras E.D.
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2019Asymmetric phthalocyanines (A3B type) containing aminophenoxy and hydroxyphenyl-diazenyl-phenoxy substituentsThimiopoulos A.; Simandiras E.D.; Psaroudakis N.
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2019Synthesis, characterization and DFT analysis of new phthalocyanine complexes containing sulfur rich substituentsThimiopoulos A.; Vogiatzi A.; Simandiras E.D.; Mousdis G.A.; Psaroudakis N.
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