Photoswitchable Molecular Units with Tunable Nonlinear Optical Activity: A Theoretical Investigation von Avramopoulos, Aggelos, Reis, Heribert, Tzeli, Demeter, Zaleśny, Robert, Papadopoulos, Manthos G

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Tailoring Colors by O Annulation of Polycyclic Aromatic Hydrocarbons von Miletić, Tanja, Fermi, Andrea, Orfanos, Ioannis, Avramopoulos, Aggelos, De Leo, Federica, Demitri, Nicola, Bergamini, Giacomo, Ceroni, Paola, Papadopoulos, Manthos G., Couris, Stelios, Bonifazi, Davide

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Handbook of Computational Chemistry von Leszczynski, Jerzy, Kaczmarek-Kedziera, Anna, Puzyn, Tomasz, G. Papadopoulos, Manthos, Reis, Heribert, K. Shukla, Manoj

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A Computational Strategy for the Design of Photochromic Derivatives Based on Diarylethene and Nickel Dithiolene with Large Contrast in Nonlinear Optical Properties von Avramopoulos, Aggelos, Zaleśny, Robert, Reis, Heribert, Papadopoulos, Manthos G

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A Contribution to the Drug Resistance Mechanism of Darunavir, Amprenavir, Indinavir, and Saquinavir Complexes with HIV-1 Protease Due to Flap Mutation 150V: A Systematic MM―PBSA an... von LEONIS, Georgios, STEINBRECHER, Thomas, PAPADOPOULOS, Manthos G

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A Contribution to the Drug Resistance Mechanism of Darunavir, Amprenavir, Indinavir, and Saquinavir Complexes with HIV‑1 Protease Due to Flap Mutation I50V: A Systematic MM–PBSA an... von Leonis, Georgios, Steinbrecher, Thomas, Papadopoulos, Manthos G

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Electronic and vibrational contributions to first hyperpolarizability of donor-acceptor-substituted azobenzene von Zaleśny, Robert, Bulik, Ireneusz W., Bartkowiak, Wojciech, Luis, Josep M., Avramopoulos, Aggelos, Papadopoulos, Manthos G., Krawczyk, Przemysław

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Binding of novel fullerene inhibitors to HIV-1 protease: insight through molecular dynamics and molecular mechanics Poisson–Boltzmann surface area calculations von Tzoupis, Haralambos, Leonis, Georgios, Durdagi, Serdar, Mouchlis, Varnavas, Mavromoustakos, Thomas, Papadopoulos, Manthos G.

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Biological and computational evaluation of resveratrol inhibitors against Alzheimer's disease von Koukoulitsa, Catherine, Villalonga-Barber, Caroline, Csonka, Robert, Alexi, Xanthippi, Leonis, Georgios, Dellis, Dimitris, Hamelink, Elizabeth, Belda, Oscar, Steele, Barry R., Micha-Screttas, Maria, Alexis, Michael N., Papadopoulos, Manthos G., Mavromoustakos, Thomas

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A Twisted Bay‐Substituted Quaterrylene Phosphorescing in the NIR Spectral Region von Miletić, Tanja, Fermi, Andrea, Papadakis, Ioannis, Orfanos, Ioannis, Karampitsos, Nikolaos, Avramopoulos, Aggelos, Demitri, Nicola, De Leo, Federica, Pope, Simon J. A., Papadopoulos, Manthos G., Couris, Stelios, Bonifazi, Davide

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The Dipole Moment, Polarizabilities, and First Hyperpolarizabilities of HArF. A Computational and Comparative Study von Avramopoulos, Aggelos, Reis, Heribert, Li, Jiabo, Papadopoulos, Manthos G

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Linear and nonlinear optical properties of a series of Ni-dithiolene derivatives von Serrano-Andrés, Luis, Avramopoulos, Aggelos, Li, Jiabo, Labéguerie, Pierre, Bégué, Didier, Kellö, Vladimir, Papadopoulos, Manthos G.

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Linear and nonlinear optical properties of triphenylamine-functionalized C60: insights from theory and experiment von ZALESNY, Robert, LOBODA, Oleksandr, ILIOPOULOS, K, CHATZIKYRIAKOS, G, COURIS, Stelios, ROTAS, Georgios, TAGMATARCHIS, Nikos, AVRAMOPOULOS, Aggelos, PAPADOPOULOS, Manthos G

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Reverse Micelles As Antioxidant Carriers: An Experimental and Molecular Dynamics Study von Chatzidaki, Maria D, Papavasileiou, Konstantinos D, Papadopoulos, Manthos G, Xenakis, Aristotelis

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Theoretical Investigation of the (Hyper)polarizabilities of Pyrrole Homologues C4H4XH (X = N, P, As, Sb, Bi). A Coupled-Cluster and Density Functional Theory Study von Alparone, Andrea, Reis, Heribert, Papadopoulos, Manthos G

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Nonlinear Optical Properties of Ferrocene- and Porphyrin-[60]Fullerene Dyads von Xenogiannopoulou, Evangelia, Medved, Miroslav, Iliopoulos, Kostas, Couris, Stelios, Papadopoulos, Manthos G., Bonifazi, Davide, Sooambar, Chloè, Mateo-Alonso, Aurelio, Prato, Maurizio

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Antihypertensive Drug Valsartan in Solution and at the AT1 Receptor: Conformational Analysis, Dynamic NMR Spectroscopy, in Silico Docking, and Molecular Dynamics Simulations von Potamitis, Constantinos, Zervou, Maria, Katsiaras, Vassilis, Zoumpoulakis, Panagiotis, Durdagi, Serdar, Papadopoulos, Manthos G, Hayes, Joseph M, Grdadolnik, Simona Golic, Kyrikou, Ioanna, Argyropoulos, Dimitris, Vatougia, Georgia, Mavromoustakos, Thomas

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Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives von Jagiello, Karolina, Grzonkowska, Monika, Swirog, Marta, Ahmed, Lucky, Rasulev, Bakhtiyor, Avramopoulos, Aggelos, Papadopoulos, Manthos G., Leszczynski, Jerzy, Puzyn, Tomasz

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An integrated bacterial system for the discovery of chemical rescuers of disease-associated protein misfolding von Matis, Ilias, Delivoria, Dafni Chrysanthi, Mavroidi, Barbara, Papaevgeniou, Nikoletta, Panoutsou, Stefania, Bellou, Stamatia, Papavasileiou, Konstantinos D., Linardaki, Zacharoula I., Stavropoulou, Alexandra V., Vekrellis, Kostas, Boukos, Nikos, Kolisis, Fragiskos N., Gonos, Efstathios S., Margarity, Marigoula, Papadopoulos, Manthos G., Efthimiopoulos, Spiros, Pelecanou, Maria, Chondrogianni, Niki, Skretas, Georgios

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A Series of Novel Derivatives with Giant Second Hyperpolarizabilities, Based on Radiaannulenes, Tetrathiafulvalene, Nickel Dithiolene, and Their Lithiated Analogues von Avramopoulos, Aggelos, Reis, Heribert, Otero, Nicolás, Karamanis, Panaghiotis, Pouchan, Claude, Papadopoulos, Manthos G

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