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2004Molecular dynamics simulations of electric field poled nonlinear optical chromophores incorporated in a polymer matrixMakowska-Janusik, M.; Ραϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.; Economou, I. G.; Zacharopoulos, N.
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2005On electric polarizabilities and hyperpolarizabilities: The correlation, relativistic and vibrational contributionsΠαπαδόπουλος, Μάνθος Γ.; Avramopoulos, A.; Raptis, S. G.; Sadlej, A. J.
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2005Peculiarities of electric field alignment of nonlinear optical chromophores incorporated into thin film polymer matrixMakowska-Janusik, M.; Ραϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.; Economou, I. G.
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2005A comparative study of the dipole polarizability of some Zn clustersΠαπαδόπουλος, Μάνθος Γ.; Ραϊς, Χεριμπέρτ; Avramopoulos, A.; Erkoc, S.; Amirouche, L.
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2005Novel 17 beta-substituted conformationally constrained neurosteroids that modulate GABA(A) receptorsSouli, C.; Avlonitis, N.; Καλογεροπούλου, Θεοδώρα; Tsotinis, A.; Maksay, G.; Biro, T.; Politi, A.; Μαυρομούστακος, Θωμάς; Makriyannis, A.; Ραϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.
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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 hyperpolarizabilitiesΡαϊς, Χεριμπέρτ; Grzybowski, A.; Παπαδόπουλος, Μάνθος Γ.
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2006Session B: Computation of the linear and nonlinear optical properties of molecules: Recent developmentsΠαπαδόπουλος, Μάνθος Γ.; Avramopoulos, A.
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2006Polarizabilities and second hyperpolarizabilities of ZnmCdn clustersΠαπαδόπουλος, Μάνθος Γ.; Ραϊς, Χεριμπέρτ; Avramopoulos, A.; Erkoc, S.; Amirouche, L.
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2006Linear and nonlinear electric properties and their dependence on the conformation and intramolecular H-bonding: A model studyAvramopoulos, A.; Jablonski, M.; Παπαδόπουλος, Μάνθος Γ.; Sadlej, A. J.
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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.; Ραϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.
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2006Διαμορφωτική ανάλυση του AT1 ανταγωνιστή Valsartan με τη χρήση NMR δύο διαστάσεων και υπολογιστικής χημείας: καθορισμός θερμοδυναμικών παραμέτρων μέσω δυναμικής φασματοσκοπίας NMR και ημιεμπειρικών υπολογισμώνΠοταμίτης, Κ.; Ζερβού, Μαρία; Παπαδόπουλος, Μάνθος Γ.; Μαυρομούστακος, Θωμάς; Ραϊς, Χεριμπέρτ; Potamitis, C.; Ραϊς, Χεριμπέρτ; Ζερβού, Μαρία; Παπαδόπουλος, Μάνθος Γ.; Μαυρομούστακος, Θωμάς
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2006Computer simulation of the linear and nonlinear optical susceptibilities of p-nitroaniline in cyclohexane, 1,4-dioxane, and tetrahydrofuran in quadrupolar approximation. II. Local field effects and optical susceptibilititiesΡαϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.; Grzybowski, A.
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2007Testing the 3D QSAR/ComFA-CoMSIA results of flexible bioactive compounds with molecular docking studiesDurdagi, S.; Koukoulitsa, C.; Kapou, A.; Kourouli, T.; Andreou, T.; Nikas, S. P.; Nahmias, V. R.; Παπαχατζής, Δημήτρης Π.; Παπαδόπουλος, Μάνθος Γ.; Μαυρομούστακος, Θωμάς
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2007Nonlinear optical properties of ferrocene- and porphyrin-[60]fullerene dyadsXenogiannopoulou, E.; Medved, M.; Iliopoulos, K.; Couris, S.; Παπαδόπουλος, Μάνθος Γ.; Bonifazi, D.; Sooambar, C.; Mateo-Alonso, A.; Prato, M.
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2007The application of 3D-QSAR studies for novel cannabinoid ligands substituted at the C1' position of the alkyl side chain on the structural requirements for binding to cannabinoid receptors CB1 and CB2Durdagi, S.; Kapou, A.; Kourouli, T.; Andreou, T.; Nikas, S. P.; Nahmias, V. R.; Παπαχατζής, Δημήτρης Π.; Παπαδόπουλος, Μάνθος Γ.; Μαυρομούστακος, Θωμάς
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2007Calculation of the microscopic and macroscopic linear and nonlinear optical properties of liquid acetonitrile. II. Local fields and linear and nonlinear susceptibilities in quadrupolar approximationAvramopoulos, A.; Παπαδόπουλος, Μάνθος Γ.; Ραϊς, Χεριμπέρτ
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2007Conformational analysis of AT1 antagonist valsartan using 2DNMR spectroscopy and computational analysis: determination of thermodynamic parameters through dynamic NMR spectroscopy and semi-empirical calculationsPotamitis, C.; Ραϊς, Χεριμπέρτ; Ζερβού, Μαρία; Παπαδόπουλος, Μάνθος Γ.; Μαυρομούστακος, Θωμάς
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2008Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptorsDurdagi, Serdar; Ραϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.; Μαυρομούστακος, Θωμάς
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2008On the electron correlation effects on electronic and vibrational hyperpolarizability of merocyanine dyesZalesny, Robert; Παπαδόπουλος, Μάνθος Γ.; Bartkowiak, Wojciech; Kaczmarek, Anna
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2008On the origin of the large electron correlation contribution to the hyperpolarizabilities of some diacetylene rare gas compoundsPluta, Tadeusz; Avramopoulos, Aggelos; Παπαδόπουλος, Μάνθος Γ.; Leszczynski, Jerzy
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