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2009The (hyper) polarizabilities of AuXeF and XeAuFHolka, F.; Avramopoulos, A.; Loboda, O.; Kelloe, V.; Papadopoulos, Manthos G.
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2009Emitting and electron-transfer electronic states of tertiary amine-fluorophore sensor systemsPetsalakis, Ioannis D.; Kerkines, Ioannis S. K.; Lathiotakis, Nektarios N.; Theodorakopoulos, Giannoula
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2009Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3Luis, Josep M.; Reis, Heribert; Papadopoulos, Manthos G.; Kirtman, Bernard
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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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2009Linear and nonlinear optical properties of a series of Ni-dithiolene derivativesSerrano-Andres, Luis; Avramopoulos, Aggelos; Li, Jiabo; Labeguerie, Pierre; Begue, Didier; Kelloe, Vladimir; Papadopoulos, Manthos G.
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2009Time-dependent formation of the profile of resonance atomic states and its dependence on the duration of ultrashort pulses from free-electron lasersNicolaides, Cleanthes A.; Mercouris, Theodoros D.; Komninos, Yannis
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2009Low-lying absorption and emission spectra of pyrene, 1,6-dithiapyrene, and tetrathiafulvalene: A comparison between ab initio and time-dependent density functional methodsKerkines, Ioannis S. K.; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Klopper, Wim
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2009Theoretical investigation of the ground and low-lying excited states of gallium and indium silicides, GaSi and InSiTzeli, Demeter ; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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2010Theoretical investigations of the IR spectroscopy of Ni(C2S2H2)(2). A case study of the P_VMWCI2 algorithm including anharmonic effectsBegue, Didier; Labeguerie, Pierre; Zhang-Negrerie, Daisy Y.; Avramopoulos, Aggelos; Serrano-Andres, Luis; Papadopoulos, Manthos G.
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2010Linear and nonlinear optical properties of triphenylamine-functionalized C-60: insights from theory and experimentZalesny, Robert; Loboda, Oleksandr; Iliopoulos, K.; Chatzikyriakos, G.; Couris, Stelios; Rotas, Georgios; Tagmatarchis, Nikos; Avramopoulos, Aggelos; Papadopoulos, Manthos G.
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2010Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theoryLathiotakis, Nektarios N.; Gidopoulos, N. I.; Helbig, N.
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2010Coherent Oscillatory Femtosecond Dynamics in Multichannel Photodynamics of NO2 Studied by Spatially Masked Electron ImagingIrimia, Daniel; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Janssen, Maurice H. M.
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2010Theoretical investigation of the interaction of CH4 with Al-2 and Al-3 neutral and charged clustersAlexandrou, E. I.; Gross, A.; Bacalis, Naoum C.
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2010Theoretical Investigation on the Effect of Protonation on the Absorption and Emission Spectra of Two Amine-Group-Bearing, Red "Push-Pull" Emitters, 4-Dimethylamino-4 '-nitrostilbene and 4-(dicyanomethylene)-2-methyl-6-p-(dimethylamino) styryl-4H-pyran, by DFT and TDDFT CalculationsPetsalakis, Ioannis D.; Georgiadou, D. G.; Vasilopoulou, M.; Pistolis, G.; Dimotikali, D.; Argitis, P.; Theodorakopoulos, Giannoula
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2010Synthesis and non-linear optical properties of some novel nickel derivativesSoras, G.; Psaroudakis, N.; Mousdis, George A.; Manos, M. J.; Tasiopoulos, A. J.; Aloukos, P.; Couris, S.; Labeguerie, P.; Lipinski, J.; Avramopoulos, A.; Papadopoulos, Manthos G.
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2010Water distributions in polystyrene-block-poly[styrene-g-poly(ethylene oxide)] block grafted copolymer system in aqueous solutions revealed by contrast variation small angle neutron scattering studyLi, Xin; Hong, Kunlun; Liu, Yun; Shew, Chwen-Yang; Liu, Emily; Herwig, Kenneth W.; Smith, Gregory S.; Zhao, Junpeng; Zhang, Guangzhao; Pispas, Stergios; Chen, Wei-Ren
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2010On the Electronic Structure of H-Ng-Ng-F (Ng = Ar, Kr, Xe) and the Nonlinear Optical Properties of HXe2FAvramopoulos, A.; Serrano-Andres, L.; Li, J.; Papadopoulos, Manthos G.
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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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2010Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzeneZalesny, Robert; Bulik, Ireneusz W.; Bartkowiak, Wojciech; Luis, Josep M.; Avramopoulos, Aggelos; Papadopoulos, Manthos G.; Krawczyk, Przemyslaw
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2011Fluorescence properties of organic dyes: quantum chemical studies on the green/blue neutral and protonated DMA-DPH emitters in polymer matricesKerkines, Ioannis S. K.; Petsalakis, Ioannis D.; Argitis, Panagiotis; Theodorakopoulos, Giannoula
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