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2013Theoretical modelling of photoswitching of hyperpolarisabilities in ruthenium complexesCoe B.J.; Avramopoulos A.; Papadopoulos M.G.; Pierloot K.; Vancoillie S.; Reis H.
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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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2000Theoretical resolution of the H- resonance spectrum up to the n=4 threshold. I. States of P-1(0), D-1(0), and F-1(0) symmetriesBylicki, M.; Nicolaides, Cleanthes A.
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2000Theoretical resolution of the H- resonance spectrum up to the n=4 threshold. II. States of S-1 and D-1 symmetriesBylicki, M.; Nicolaides, Cleanthes A.
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2002Theoretical resolution of the H- resonance spectrum up to the n=5 threshold: States of P-3(o) symmetryBylicki, M.; Nicolaides, Cleanthes A.
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2009Theoretical Study of Adsorption and Diffusion of Group IIIA Metals on Si(111)Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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2009Theoretical Study of Adsorption of Group IIIA Nitrides on Si(111)Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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2005Theoretical study of benzene, toluene, and dibromobenzene at a Si(111)7x7 surfacePetsalakis, Ioannis D.; Polanyi, J. C.; Theodorakopoulos, Giannoula
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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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2007Theoretical study of fulleropyrrolidines by density functional and time-dependent density functional theoryPetsalakis, Ioannis D.; Tagmatarchis, Nikos; Theodorakopoulos, Giannoula
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2008Theoretical study of gallium nitride molecules, GaN2 and GaN4Tzeli, Demeter; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
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2004Theoretical study of glass systems using ab initio molecular electronic structure theory. I. Lithium metaphosphate glassSimandiras, Emmanuel D.; Liakos, D. G.
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2008Theoretical study of glass systems using molecular electronic structure theory. 2. Structure and spectroscopy of the B2O3 glassLiakos, D. G.; Simandiras, Emmanuel D.
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2005Theoretical study of halogen-substituted benzene at a Si(111)7x7 surfacePetsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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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(+) statesPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; 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; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Ajami, Dariush; Rebek, Julius
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2007Theoretical study of nonadiabatic interactions, radiative lifetimes and predissociation lifetimes of excited states of BHPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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2003Theoretical study of the induced attachment of benzene to Si(1 1 1) 7 ╫ 7Petsalakis, Ioannis D.; Polanyi, J. C.; Theodorakopoulos, Giannoula
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2010Theoretical Study of the O-2 Interaction with a Tetrahedral Al-4 ClusterBacalis, Naoum C.; Metropoulos, Aristophanes; 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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