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Showing results 1 to 20 of 38
| Date | Title | Author(s) | Full text | | 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 | |
| 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 | 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; Mayromoustakos, Thomas; Reis, Heribert; Gili, Argiro; Papadopoulos, Manthos G.; Zervou, Maria | |
| 2011 | Electronic 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. | |
| 2009 | Treatment of nonlinear optical properties due to large amplitude anharmonic vibrational motions: Umbrella motion in NH3 | Luis, Josep M.; Reis, Heribert; Papadopoulos, Manthos; Kirtman, Bernard | |
| 2009 | Linear and Nonlinear Optical Properties of [60]Fullerene Derivatives | Loboda, O.; Zalesny, R.; Avramopoulos, A.; Luis, J. -M.; Kirtman, B.; Tagmatarchis, N.; Reis, H.; Papadopoulos, M. G. | |
| 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, H.; Papadopoulos, M. G. | |
| 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 | |
| 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 | |
| 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.; Ζερβού, Μαρία; Παπαδόπουλος, Μάνθος Γ.; Μαυρομούστακος, Θωμάς; 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 | 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, H.; Papadopoulos, A. G. | |
| 2006 | Polarizabilities and second hyperpolarizabilities of ZnmCdn clusters | Papadopoulos, Manthos G.; Reis, Heribert; Avramopoulos, A.; Erkoc, S.; Amirouche, L. | |
| 2006 | Problems in the comparison of theoretical and experimental hyperpolarizabilities revisited | Reis, Heribert | |
| 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. | |
| 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. | |
| 2005 | Novel 17 beta-substituted conformationally constrained neurosteroids that modulate GABA(A) receptors | Souli, C.; Avlonitis, N.; Calogeropoulou, Theodora; Tsotinis, A.; Maksay, G.; Biro, T.; Politi, A.; Mavromoustakos, Thomas; Makriyannis, A.; Reis, Heribert; Papadopoulos, Manthos G. | |
| 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 | A comparative study of the dipole polarizability of some Zn clusters | Papadopoulos, Manthos G.; Reis, Heribert; Avramopoulos, A.; Erkoc, S.; Amirouche, L. | |
Showing results 1 to 20 of 38
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