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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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1998Calculation of macroscopic first- and third-order optical susceptibilities for the benzene crystalReis, Heribert; Raptis, S.; Papadopoulos, Manthos G.; Janssen, R. H. C.; Theodorou, D. N.; Munn, R. W.
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1998Calculation of macroscopic first-, second-, and third-order optical susceptibilities for the urea crystalReis, Heribert; Papadopoulos, Manthos G.; Munn, R. W.
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1999Nonlinear optical properties of the rhombic B-4-clusterReis, Heribert; Papadopoulos, Manthos G.
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2000Distributed first and second order hyperpolarizabilities: An improved calculation of nonlinear optical susceptibilities of molecular crystalsReis, Heribert; Papadopoulos, Manthos G.; Hattig, C.; Angyan, J. G.; Munn, R. W.
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2000Calculation of macroscopic linear and nonlinear optical susceptibilities for the naphthalene, anthracene and meta-nitroaniline crystalsReis, Heribert; Papadopoulos, Manthos G.; Calaminici, P.; Jug, K.; Koster, A. M.
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2000DFT calculations of static dipole polarizabilities and hyperpolarizabilities for the boron clusters B-n (n=3-8, 10)Reis, Heribert; Papadopoulos, Manthos G.; Boustani, I.
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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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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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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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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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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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2004On the vibrational polarizabilities and hyperpolarizabilities: analysis of some specific examples: pyrrole and harfPapadopoulos, Manthos G.; Avramopoulos, A.; Reis, Heribert
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2005Novel 17 beta-substituted conformationally constrained neurosteroids that modulate GABA(A) receptorsSouli, C.; Avlonitis, N.; Calogeropoulou, Theodora; Tsotinis, A.; Maksay, G.; Biro, T.; Politi, A.; Mavromoustakos, Thomas; Makriyannis, A.; Reis, Heribert; Papadopoulos, Manthos G.
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2005Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. I. Molecular polarizabilities and hyperpolarizabilitiesReis, Heribert; Grzybowski, A.; Papadopoulos, Manthos G.
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