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2005Theoretical study of halogen-substituted benzene at a Si(111)7x7 surfaceΠετσαλάκης, Ιωάννης Δ.; Θεοδωρακοπούλου, Γιαννούλα
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2009Theoretical study of highly excited (1)Sigma(+) and (1)Pi states of NaLi and experimental observation of the interacting 5(1)Sigma(+) and 6(1)Sigma(+) statesΠετσαλάκης, Ιωάννης Δ.; Θεοδωρακοπούλου, Γιαννούλα; Grochol, Anna; Kowalczyk, Pawel; Jastrzebski, Wlodzimierz
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2011Theoretical Study of Hydrogen Bonding in Homodimers and Heterodimers of Amide, Boronic Acid, and Carboxylic Acid, Free and in Encapsulation ComplexesTzeli, Demeter; Θεοδωρακοπούλου, Γιαννούλα; Πετσαλάκης, Ιωάννης Δ.; Ajami, Dariush; Rebek, Julius
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2007Theoretical study of nonadiabatic interactions, radiative lifetimes and predissociation lifetimes of excited states of BHΠετσαλάκης, Ιωάννης Δ.; Θεοδωρακοπούλου, Γιαννούλα
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2003Theoretical study of the induced attachment of benzene to Si(1 1 1) 7 ╫ 7Πετσαλάκης, Ιωάννης Δ.; Polanyi, J. C.; Θεοδωρακοπούλου, Γιαννούλα
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2010Theoretical Study of the O-2 Interaction with a Tetrahedral Al-4 ClusterΜπακάλης, Ναούμ Χ.; Μητρόπουλος, Αριστοφάνης; Gross, A.
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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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2014Theoretical study on a corrole-azafullerene dyad: Electronic structure, spectra and photoinduced electron transferPetsalakis I.D.; Theodorakopoulos G.
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1999Theoretical study on electronic states of carbon monofluoride and on the predissociation of the lower lying statesΠετσαλάκης, Ιωάννης Δ.
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2018Theoretical study on perylene derivatives as fluorescent sensors for aminesLathiotakis N.N.; Kerkines I.S.K.; Theodorakopoulos G.; Petsalakis I.D.
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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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2008Theoretical study on the electronic states of NaLiPetsalakis, Ioannis; Tzeli, Demeter ; Theodorakopoulos, Giannoula
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2011Theoretical study on the electronic structure and the absorption spectra of complexes of C-60 and C59N with pi-extended derivatives of tetrathiafulvaleneΠετσαλάκης, Ιωάννης Δ.; Tzeli, Demeter; Kerkines, Ioannis S. K.; Θεοδωρακοπούλου, Γιαννούλα
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2014Theoretical study on the electronic structure of triphenyl sulfonium salts: Electronic excitation and electron transfer processesPetsalakis I.D.; Theodorakopoulos G.; Lathiotakis N.N.; Georgiadou D.G.; Vasilopoulou M.; Argitis P.
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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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2006Theoretical study on the low-lying electronic states of InNΘεοδωρακοπούλου, Γιαννούλα; Πετσαλάκης, Ιωάννης Δ.
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1998Theoretical study on the Rydberg states of NeH: Ab initio quantum defect and complex coordinate calculationsΠετσαλάκης, Ιωάννης Δ.; Θεοδωρακοπούλου, Γιαννούλα; Li, Y.; Hirsch, G.; Buenker, R. J.; Child, M. S.
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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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2007Theoretical study on triphenylamine-based sensors of dicarboxylic acidsΠετσαλάκης, Ιωάννης Δ.; Ταγματάρχης, Νίκος; Rotas, G.; Θεοδωρακοπούλου, Γιαννούλα
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1990Theoretical Treatment of Predissociation in the A2 Sigma+, B 2-Pi, and C2-Sigma+ States of HehΠετσαλάκης, Ιωάννης Δ.; Θεοδωρακοπούλου, Γιαννούλα; Buenker, R. J.
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