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2002Corrigendum to “An ab initio potential energy surface and spectroscopic constants for the X1Σg+ state of NO2+”: [J. Mol. Struct. (Theochem) 434 (1998) 177–182]Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Child, M. S.
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2002Potential energy curves and dipole transition moments for excited electronic states of XeKr and ArNePetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Liebermann, H. P.; Buenker, R. J.
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2002Complex coordinate calculations on predissociated states of diatomic moleculesPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Buenker, R. J.
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2003Theoretical ab initio study of the electronic states of KrH and KrH+: Quantum defect and complex coordinate calculations on the Rydberg states of KrHPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Buenker, R. J.
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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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2004Parent-and daughter-mediated halogenation reactions modeled for 1,2-and 1,4-dibromobenzene at Si(111)-7 x 7Harikumar, K. R.; Petsalakis, Ioannis D.; Polanyi, J. C.; Theodorakopoulos, Giannoula
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2004Theoretical ab initio study on the electronic states of GaO and Ga2OPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Gora, R. W.; Roszak, S.
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2005Theoretical study of halogen-substituted benzene at a Si(111)7x7 surfacePetsalakis, 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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2006Quasi-molecular radiative transitions produced by thermal and low-temperature collisions: Ar(3p(61)S(0)-3p(5)4s(3)P(2))-HeDevdariani, A.; Chesnokov, E.; Zagrebin, A.; Lednev, M. G.; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Liebermann, H. P.; Buenker, R. J.
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2006Unbalanced strain-directed functionalization of carbon nanohorns: A theoretical investigation based on complementary methodsPetsalakis, Ioannis D.; Pagona, G.; Theodorakopoulos, Giannoula; Tagmatarchis, Nikos; Yudasaka, M.; Iijima, S.
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2006Multireference configuration interaction and quantum defect calculations on the Rydberg states of the BH moleculePetsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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2006Theoretical study on the low-lying electronic states of InNTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.
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2007Theoretical study on triphenylamine-based sensors of dicarboxylic acidsPetsalakis, Ioannis D.; Tagmatarchis, Nikos; Rotas, G.; Theodorakopoulos, Giannoula
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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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2007Theoretical study of fulleropyrrolidines by density functional and time-dependent density functional theoryPetsalakis, Ioannis D.; Tagmatarchis, Nikos; Theodorakopoulos, Giannoula
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2007Theoretical investigation on the electronic and geometric structure of GaN2+ and GaN4+Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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2008A DFT Study of Adsorption of Gallium and Gallium Nitrides on Si(111)Tzeli, Demeter; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
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2008Structure and energetics of InN and GaN dimersSimova, Lucia; Tzeli, Demeter; Urban, Miroslav; Cernusak, Ivan; Theodorakopoulos, Giannoula; Petsalakis, Ioannis D.
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2008Theoretical study on the electronic states of NaLiPetsalakis, Ioannis; Tzeli, Demeter ; Theodorakopoulos, Giannoula
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