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Αποτελέσματα 21 έως 40 από 56 < προηγούμενο επόμενο >

Ημερομηνία	Τίτλος	Δημιουργός
2005	Computer 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 hyperpolarizabilities	Reis, Heribert; Grzybowski, A.; Papadopoulos, Manthos G.
2005	Peculiarities of electric field alignment of nonlinear optical chromophores incorporated into thin film polymer matrix	Makowska-Janusik, M.; Reis, Heribert; Papadopoulos, Manthos G.; Economou, I. G.
2006	Computer 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 susceptibilitities	Reis, Heribert; Papadopoulos, Manthos G.; Grzybowski, A.
2006	Διαμορφωτική ανάλυση του AT1 ανταγωνιστή Valsartan με τη χρήση NMR δύο διαστάσεων και υπολογιστικής χημείας: καθορισμός θερμοδυναμικών παραμέτρων μέσω δυναμικής φασματοσκοπίας NMR και ημιεμπειρικών υπολογισμών	Ποταμίτης, Κ.; Zervou, Maria; Papadopoulos, Manthos G.; Mavromoustakos, Thomas; Reis, Heribert; Potamitis, C.; Reis, Heribert; Zervou, Maria; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
2006	Theoretical investigation of the (hyper) polarizabilities of pyrrole homologues C4H4XH (X = N, P, As, Sb, Bi). A coupled-cluster and density functional theory study	Alparone, A.; Reis, Heribert; Papadopoulos, Manthos G.
2006	Problems in the comparison of theoretical and experimental hyperpolarizabilities revisited	Reis, Heribert
2006	Polarizabilities and second hyperpolarizabilities of ZnmCdn clusters	Papadopoulos, Manthos G.; Reis, Heribert; Avramopoulos, A.; Erkoc, S.; Amirouche, L.
2006	A study of the environmental effects on the microscopic and macroscopic non-linear - Optical properties of liquids, based on a multipolar approximation: Liquid acetonitrile	Avramopoulos, A.; Reis, Heribert; Papadopoulos, A. G.
2007	Conformational analysis of AT1 antagonist valsartan using 2DNMR spectroscopy and computational analysis: determination of thermodynamic parameters through dynamic NMR spectroscopy and semi-empirical calculations	Potamitis, C.; Reis, Heribert; Zervou, Maria; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
2007	Calculation of the microscopic and macroscopic linear and nonlinear optical properties of liquid acetonitrile. II. Local fields and linear and nonlinear susceptibilities in quadrupolar approximation	Avramopoulos, A.; Papadopoulos, Manthos G.; Reis, Heribert
2008	Comparative molecular dynamics simulations of the potent synthetic classical cannabinoid ligand AMG3 in solution and at binding site of the CB1 and CB2 receptors	Durdagi, Serdar; Reis, Heribert; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
2009	Symposium on "Recent Developments of the Calculation of Nonlinear Optical (NLO) Properties: The NLO Properties of Fullerene Derivatives and New Approaches to the Calculation of Vibrational Contributions"	Loboda, O.; Avramopoulos, A.; Reis, Heribert; Papadopoulos, Manthos G.
2009	Linear and Nonlinear Optical Properties of [60]Fullerene Derivatives	Loboda, O.; Zalesny, R.; Avramopoulos, A.; Luis, J. -M.; Kirtman, B.; Tagmatarchis, Nikos; Reis, Heribert; Papadopoulos, Manthos G.
2009	Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3	Luis, Josep M.; Reis, Heribert; Papadopoulos, Manthos G.; Kirtman, Bernard
2011	Electronic and Vibrational Linear and Nonlinear Polarizabilities of Li@C-60 and [Li@C-60](+)	Reis, Heribert; Loboda, O.; Avramopoulos, A.; Papadopoulos, Manthos G.; Kirtman, B.; Luis, J. M.; Zalesny, R.
2011	Comparative Biophysical Studies of Sartan Class Drug Molecules Losartan and Candesartan (CV-11974) with Membrane Bilayers	Fotakis, Charalambos; Christodouleas, Dionysios; Zoumpoulakis, Panagiotis; Kritsi, Effichia; Benetis, Nikolas-Ploutarch; Mavromoustakos, Thomas; Reis, Heribert; Gili, Argiro; Papadopoulos, Manthos G.; Zervou, Maria
2011	Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C-28	Skwara, Bartlomiej; Gora, Robert W.; Zalesny, Robert; Lipkowski, Pawel; Bartkowiak, Wojciech; Reis, Heribert; Papadopoulos, Manthos G.; Luis, Josep M.; Kirtman, Bernard
2011	Electric field polarization in conventional density functional theory: From quasilinear to two-dimensional and three-dimensional extended systems	Kirtman, Bernard; Lacivita, Valentina; Dovesi, Roberto; Reis, Heribert
2013	A full dimensionality approach to evaluate the nonlinear optical properties of molecules with large amplitude anharmonic tunneling motions	Garcia-Borràs M.; Solà M.; Lauvergnat D.; Reis H.; Luis J.M.; Kirtman B.
2013	On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeF	Avramopoulos A.; Reis H.; Luis J.M.; Papadopoulos M.G.

Αποτελέσματα 21 έως 40 από 56 < προηγούμενο επόμενο >