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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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2011Theoretical calculations on the potential energy curves of electronic states of CF: Rydberg states of CF above the lowest ionization limitPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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1992Theoretical Calculations on the Rydberg States of H2sPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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1987Theoretical Dipole Transition Moments for the Transitions to the Ground-State X2-Sigma+ from the A2-Sigma+, B2-Pi, C2-Sigma+, D2-Sigma+ and E2-Pi States and for the B2-Pi-]A2-Sigma+ System in HehTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Nicolaides, Cleanthes A.; Buenker, R. J.
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1987Theoretical Dipole Transition Moments for Transitions between Bound Electronic States and Nonadiabatic Coupling Matrix-Elements between 2-Sigma+ of HehPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Nicolaides, Cleanthes A.; Buenker, R. J.
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2012Theoretical Elucidation of a Classic Reaction: Protonation of the Quadruple Bond of the Octachlorodimolybdate(II,II) [Mo2Cl8](4-) AnionSimandiras, Emmanuel D.; Tsakiroglou, Metaxia; Psaroudakis, Nikolaos; Liakos, Dimitrios G.; Mertis, Konstantinos
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1998Theoretical investigation of metastable hydrogen de-excitation in collisions with He and NeVegiri, Aliki
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2006Theoretical investigation of the (hyper) polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory studyAlparone, A.; Reis, Heribert; Papadopoulos, Manthos G.
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1987Theoretical Investigation of the Character of the Electronic States of H2o Along a Linear Dissociation Path Leading to Oh+HTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Buenker, R. J.
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2011Theoretical investigation of the complexation of crown ethers and crown ethers of fulleropyrrolidine with (CH3)(x)NH4-x+, x=0-4Tzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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1987Theoretical Investigation of the Excited-States of Neh - Calculations of Dipole Transition Moments and Radial Coupling Matrix-ElementsTheodorakopoulos, Giannoula; Petsalakis, Ioannis D.; Buenker, R. J.
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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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2009Theoretical Investigation of the Interaction of CH(4) with Al(n) Neutral and Charged ClustersAlexandrou, E. I.; Bacalis, Naoum C.
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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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2007Theoretical investigation of the stepwise hydrolysis of the [Re-3(mu-Cl)(3)Cl-9](3-) anionLiakos, D. G.; Simandiras, Emmanuel D.; Psaroudakis, N.; Mertis, K.
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2019Theoretical investigation on the binding of alkyl halides and cyclohexyl halides in water-soluble cavitandsPetsalakis I.D.; Tzeli, D.; Theodorakopoulos G.; Rebek, Julius
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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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2007Theoretical investigation on the electronic and geometric structure of GaN2+ and GaN4+Tzeli, 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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1992Theoretical Lifetimes of Rydberg States of Arh and ArdPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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1992Theoretical Lifetimes of the Al 2s, 2p, 2d, and 2f StatesTheodosiou, C. E.
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