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ΤύποςΗμερομηνίαΤίτλοςΔημιουργόςΠλήρες κείμενο
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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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2009Linear and Nonlinear Optical Properties of [60]Fullerene DerivativesLoboda, O.; Zalesny, R.; Avramopoulos, A.; Luis, J. -M.; Kirtman, B.; Ταγματάρχης, Νίκος; Ραϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.
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2011Electronic Structure, Bonding, Spectra, and Linear and Nonlinear Electric Properties of Ti@C-28Skwara, Bartlomiej; Gora, Robert W.; Zalesny, Robert; Lipkowski, Pawel; Bartkowiak, Wojciech; Ραϊς, Χεριμπέρτ; Παπαδόπουλος, Μάνθος Γ.; Luis, Josep M.; Kirtman, Bernard
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2011Electronic and Vibrational Linear and Nonlinear Polarizabilities of Li@C-60 and [Li@C-60](+)Ραϊς, Χεριμπέρτ; Loboda, O.; Avramopoulos, A.; Παπαδόπουλος, Μάνθος Γ.; Kirtman, B.; Luis, J. M.; Zalesny, R.
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2015Reliable but timesaving: In search of an efficient quantum-chemical method for the description of functional fullerenesReis H.; Rasulev B.; Papadopoulos M.G.; Leszczynski J.
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2016Dipole and quadrupole polarizabilities of the water molecule as a function of geometryLoboda O.; Ingrosso F.; Ruiz-López M.F.; Reis H.; Millot C.
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2016A series of novel derivatives with giant second hyperpolarizabilities, based on radiaannulenes, tetrathiafulvalene, nickel dithiolene, and their lithiated analoguesAvramopoulos A.; Reis H.; Otero N.; Karamanis P.; Pouchan C.; Papadopoulos M.G.
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2013Theoretical modelling of photoswitching of hyperpolarisabilities in ruthenium complexesCoe B.J.; Avramopoulos A.; Papadopoulos M.G.; Pierloot K.; Vancoillie S.; Reis H.
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2013On the vibrational linear and nonlinear optical properties of compounds involving noble gas atoms: HXeOXeH, HXeOXeF, and FXeOXeFAvramopoulos A.; Reis H.; Luis J.M.; Papadopoulos M.G.
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