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Showing results 21 to 40 of 169
DateTitleAuthor(s)Full text
2011State- and Property-Specific Quantum Chemistry: Basic Characteristics, and Sample Applications to Atomic, Molecular, and Metallic Ground and Excited States of BerylliumNicolaides, Cleanthes A.
2011Computational Insight into the Electronic Structure and Absorption Spectra of Lithium Complexes of N-Confused TetraphenylporphyrinTzeli, Demeter; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula
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
2011Schottky and charge memory effects in InN nanodomainsSpyropoulos-Antonakakis, N.; Sarantopoulou, E.; Kollia, Z.; Drazic, G.; Kobe, S.
2011Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson-Boltzmann surface area calculationsTzoupis, Haralambos; Leonis, Georgios; Durdagi, Serdar; Mouchlis, Varnavas; Mavromoustakos, Thomas; Papadopoulos, Manthos G.
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
2011Nonlinear optical response of a symmetrical Au dithiolene complex under ps and ns laser excitation in the infrared and in the visibleChatzikyriakos, G.; Papagiannouli, I.; Couris, S.; Anyfantis, G. C.; Papavassiliou, G. C.
2011Protein immobilization and detection on laser processed polystyrene surfacesSarantopoulou, Evangelia; Petrou, Panagiota S.; Kollia, Zoe; Palles, Dimitrios; Spyropoulos-Antonakakis, Nikolaos; Kakabakos, Sotirios; Cefalas, Alkiviadis-Constantinos
2011On the Stability, Electronic Structure, and Nonlinear Optical Properties of HXeOXeF and FXeOXeFAvramopoulos, Aggelos; Li, Jiabo; Holzmann, Nicole; Frenking, Gernot; Papadopoulos, Manthos G.
2011Conformational analysis of the MBP(83-99) (Phe(91)) and MBP(83-99) (Tyr(91)) peptide analogues and study of their interactions with the HLA-DR2 and human TCR receptors by using Molecular DynamicsPotamitis, C.; Matsoukas, M. -T.; Tselios, T.; Mavromoustakos, T.; Grdadolnik, S. Golic
2011Effects of MOCVD Thin Cobalt Films' Structure and Surface Characteristics on their Magnetic BehaviorPapadopoulos, Nikolaos; Karayianni, Chaido-Stefania; Tsakiridis, Petros; Sarantopoulou, Evangelia; Hristoforou, Evangelos
2011Fractional spin in reduced density-matrix functional theoryHelbig, N.; Theodorakopoulos, G.; Lathiotakis, N. N.
2011Origin of the n-type transport behavior of azafullerene encapsulated single-walled carbon nanotubesNguyen Thanh Cuong; Otani, Minoru; Iizumi, Yoko; Okazaki, Toshiya; Rotas, Georgios; Tagmatarchis, Nikos; Li, Yongfeng; Kaneko, Toshiro; Hatakeyama, Rikizo; Okada, Susumu
2011Comparison of thermal effects of stilbenoid analogs in lipid bilayers using differential scanning calorimetry and molecular dynamics: correlation of thermal effects and topographical position with antioxidant activityKoukoulitsa, Catherine; Durdagi, Serdar; Siapi, Eleni; Villalonga-Barber, Carolina; Alexi, Xanthippi; Steele, Barry R.; Micha-Screttas, Maria; Alexis, Michael N.; Tsantili-Kakoulidou, Anna; Mavromoustakos, Thomas
2011Structural correlations and melting of B-DNA fibersWildes, Andrew; Theodorakopoulos, Nikos; Valle-Orero, Jessica; Cuesta-Lopez, Santiago; Garden, Jean-Luc; Peyrard, Michel
2011Interactions of the AT(1) antagonist valsartan with dipalmitoyl-phosphatidylcholine bilayersPotamitis, C.; Chatzigeorgiou, P.; Siapi, E.; Viras, K.; Mavromoustakos, T.; Hodzic, A.; Pabst, G.; Cacho-Nerin, F.; Laggner, P.; Rappolt, M.
2011Theoretical calculations on the potential energy curves of electronic states of CF: Rydberg states of CF above the lowest ionization limitPetsalakis, Ioannis D.; Theodorakopoulos, Giannoula
2011Long-term oxidization and phase transition of InN nanotexturesSarantopoulou, Evangelia; Kollia, Zoe; Drazic, Goran; Kobe, Spomenka; Antonakakis, Nicolaos Spyropoulos
2011Large Changes of Static Electric Properties Induced by Hydrogen Bonding: An ab Initio Study of Linear HCN OligomersGora, Robert W.; Zalesny, Robert; Zawada, Agnieszka; Bartkowiak, Wojciech; Skwara, Bartlomiej; Papadopoulos, Manthos G.; Silva, Daniel L.
Showing results 21 to 40 of 169


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