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2000Hexalithiobenzene: A molecule with exceptionally high second hyperpolarizabilityRaptis, S. G.; Papadopoulos, Manthos G.; Sadlej, A. J.
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2001Δονητικές και σχετικιστικές διορθώσεις στη διπολική ροπή, πολωσιμότητα και την πρώτη υπερπολωσιμότητα των υδριδίων του Cu, Ag και AuΑβραμόπουλος, Άγγελος; Papadopoulos, Manthos G.; Ingamells, Victoria E.; Sadlej, Andrzej J.
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2001Electrostatic calculation of linear and non-linear optical properties of ice Ih, II, IX and VIIIReis, Heribert; Raptis, S. G.; Papadopoulos, Manthos G.
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2001Vibrational corrections to electric properties of relativistic molecules: The coinage metal hydridesAvramopoulos, A.; Ingamells, V. E.; Papadopoulos, Manthos G.; Sadlej, A. J.
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2001Synthesis of N-Urethane-protected gamma-amino-functionalized butenoates and tautomeric studies by means of NMR, X-ray crystallography and ab initio calculationsDetsi, A.; Gavrielatos, E.; Adam, M. A.; Igglessi-Markopoulou, O.; Markopoulos, J.; Theologitis, M.; Reis, Heribert; Papadopoulos, Manthos G.
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2001Comparison of the non-linear optical properties of a dimethylaminostilbene derivative containing a molybdenum mononitrosyl redox centre and of p,p '-dimethylaminonitrostilbene, calculated by ab-initio methodsReis, Heribert; Raptis, S. G.; Papadopoulos, Manthos G.
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2001Calculation of refractive indices and third-harmonic generation susceptibilities of liquid benzene and water: Comparison of continuum and discrete local-field theoriesReis, Heribert; Papadopoulos, Manthos G.; Theodorou, D. N.
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2001Vibrational effects on electric properties of cyclopropenone and cyclopropenethioneEckart, U.; Ingamells, V. E.; Papadopoulos, Manthos G.; Sadlej, A. J.
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2002Trends in the electronic and vibrational contributions to the dipole moment, polarizabilities, and first and second hyperpolarizabilities of the hydrides of Li, Na and KAvramopoulos, A.; Papadopoulos, Manthos G.
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2002Relativistic effects on interaction-induced electric properties of weakly interacting systems: The HF...AuH dimerAvramopoulos, A.; Papadopoulos, Manthos G.; Sadlej, A. J.
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2002Local fields and distributed response: Electric susceptibility calculations for molecular materialsMunn, R. W.; Papadopoulos, Manthos G.; Reis, Heribert
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2003Calculation of the microscopic and macroscopic linear and nonlinear optical properties of acetonitrile: I. Accurate molecular properties in the gas phase and susceptibilities of the liquid in Onsager's reaction-field modelReis, Heribert; Papadopoulos, Manthos G.; Avramopoulos, A.
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2003Electronic and vibrational polarizabilities and hyperpolarizabilities of azoles: A comparative study of the structure-polarization relationshipJug, K.; Chiodo, S.; Calaminici, P.; Avramopoulos, A.; Papadopoulos, Manthos G.
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2003Calculation of the first hyperpolarizabilities of the neutral and the cationic form of a donor-acceptor molecule containing octamethylferroceneReis, Heribert; Papadopoulos, Manthos G.
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2003Off-diagonal second-order polarizability of N,N '-dihexyl-1,3-diamino-4,6-dinitrobenzeneWortmann, R.; Lebus-Henn, S.; Reis, Heribert; Papadopoulos, Manthos G.
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2003Strong interactions through the X center dot center dot center dot Au-Y bridge: the Au bond?Avramopoulos, A.; Papadopoulos, Manthos G.; Sadlej, A. J.
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2003Electronic spectrum of the confined auride ionKedziera, D.; Avramopoulos, A.; Papadopoulos, Manthos G.; Sadlej, A. J.
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2004Molecular dynamics simulations of electric field poled nonlinear optical chromophores incorporated in a polymer matrixMakowska-Janusik, M.; Reis, Heribert; Papadopoulos, Manthos G.; Economou, I. G.; Zacharopoulos, N.
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2004The dipole moment, polarizabilities, and first hyperpolarizabilities of HArF. A computational and comparative studyAvramopoulos, A.; Reis, Heribert; Li, J. B.; Papadopoulos, Manthos G.
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2004Nonlinear optical susceptibilities of poled guest-host systems: A computational approachReis, Heribert; Makowska-Janusika, M.; Papadopoulos, Manthos G.
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