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Browse Helios by "NHRF Author"
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DateTitleAuthor(s)Full text
2011Electric field polarization in conventional density functional theory: From quasilinear to two-dimensional and three-dimensional extended systemsKirtman, Bernard; Lacivita, Valentina; Dovesi, Roberto; Reis, Heribert
2011Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C-28Skwara, Bartlomiej; Gora, Robert W.; Zalesny, Robert; Lipkowski, Pawel; Bartkowiak, Wojciech; Reis, Heribert; Papadopoulos, Manthos G.; Luis, Josep M.; Kirtman, Bernard
2011Comparative Biophysical Studies of Sartan Class Drug Molecules Losartan and Candesartan (CV-11974) with Membrane BilayersFotakis, Charalambos; Christodouleas, Dionysios; Zoumpoulakis, Panagiotis; Kritsi, Effichia; Benetis, Nikolas-Ploutarch; Mayromoustakos, Thomas; Reis, Heribert; Gili, Argiro; Papadopoulos, Manthos G.; Zervou, Maria
2011Electronic and Vibrational Linear and Nonlinear Polarizabilities of Li@C-60 and [Li@C-60](+)Reis, H.; Loboda, O.; Avramopoulos, A.; Papadopoulos, M. G.; Kirtman, B.; Luis, J. M.; Zalesny, R.
2009Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3Luis, Josep M.; Reis, Heribert; Papadopoulos, Manthos; Kirtman, Bernard
2009Linear and Nonlinear Optical Properties of [60]Fullerene DerivativesLoboda, O.; Zalesny, R.; Avramopoulos, A.; Luis, J. -M.; Kirtman, B.; Tagmatarchis, N.; Reis, H.; Papadopoulos, M. G.
2009Symposium 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, H.; Papadopoulos, M. G.
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; Reis, Heribert; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
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.; Reis, Heribert; Zervou, Maria; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
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.; Papadopoulos, Manthos G.; Reis, Heribert
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; Reis, Heribert; Potamitis, C.; Reis, Heribert; Zervou, Maria; Papadopoulos, Manthos G.; Mavromoustakos, Thomas
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.
2006A study of the environmental effects on the microscopic and macroscopic non-linear - Optical properties of liquids, based on a multipolar approximation: Liquid acetonitrileAvramopoulos, A.; Reis, H.; Papadopoulos, A. G.
2006Polarizabilities and second hyperpolarizabilities of ZnmCdn clustersPapadopoulos, Manthos G.; Reis, Heribert; Avramopoulos, A.; Erkoc, S.; Amirouche, L.
2006Problems in the comparison of theoretical and experimental hyperpolarizabilities revisitedReis, Heribert
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 susceptibilititiesReis, Heribert; Papadopoulos, Manthos G.; Grzybowski, A.
2005Peculiarities of electric field alignment of nonlinear optical chromophores incorporated into thin film polymer matrixMakowska-Janusik, M.; Reis, Heribert; Papadopoulos, Manthos G.; Economou, I. G.
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.
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.
2005A comparative study of the dipole polarizability of some Zn clustersPapadopoulos, Manthos G.; Reis, Heribert; Avramopoulos, A.; Erkoc, S.; Amirouche, L.
Showing results 1 to 20 of 38

 

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