Poly(vinyl alcohol) as a water protecting agent for silver nanoparticles: the role of polymer size and structure von Kyrychenko, Alexander, Pasko, Dmitry A, Kalugin, Oleg N

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A new force field model for the simulation of transport properties of imidazolium-based ionic liquids von CHABAN, Vitaly V, VOROSHYLOVA, Iuliia V, KALUGIN, Oleg N

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Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysis von Marekha, Bogdan A, Kalugin, Oleg N, Idrissi, Abdenacer

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Voronoi Polyhedra as a Tool for the Characterization of Inhomogeneous Distribution in 1‑Butyl-3-methylimidazolium Cation-Based Ionic Liquids von Koverga, Volodymyr, Maity, Nishith, Miannay, François Alexandre, Kalugin, Oleg N, Juhasz, Akos, Świątek, Adam, Polok, Kamil, Takamuku, Toshiyuki, Jedlovszky, Pál, Idrissi, Abdenacer

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Local Structure in Terms of Nearest-Neighbor Approach in 1‑Butyl-3-methylimidazolium-Based Ionic Liquids: MD Simulations von Marekha, Bogdan A, Koverga, Volodymyr A, Chesneau, Erwan, Kalugin, Oleg N, Takamuku, Toshiyuki, Jedlovszky, Pál, Idrissi, Abdenacer

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Control of Carbon Nanotube Electronic Properties by Lithium Cation Intercalation von Korsun, Oleksandr M, Kalugin, Oleg N, Prezhdo, Oleg V

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The local structure in the BmimPF6/acetonitrile mixture: the charge distribution effect von Koverga, Volodymyr, Kalugin, Oleg N, Miannay, François-Alexandre, Smortsova, Yevheniia, Goloviznina, Kateryna, Marekha, Bogdan, Jedlovszky, Pal, Idrissi, Abdenacer

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Uniform Diffusion of Acetonitrile inside Carbon Nanotubes Favors Supercapacitor Performance von Kalugin, Oleg N, Chaban, Vitaly V, Loskutov, Valentin V, Prezhdo, Oleg V

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Critical assessment of popular biomolecular force fields for molecular dynamics simulations of folding and enzymatic activity of main protease of coronavirus SARS-CoV-2 von Lohachova, Kateryna O., Kyrychenko, Alexander, Kalugin, Oleg N.

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Atomistic Simulations of Coating of Silver Nanoparticles with Poly(vinylpyrrolidone) Oligomers: Effect of Oligomer Chain Length von Kyrychenko, Alexander, Korsun, Oleksandr M, Gubin, Iurii I, Kovalenko, Sergiy M, Kalugin, Oleg N

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pH-Responsive Coating of Silver Nanoparticles with Poly(2‑(N,N‑dimethylamino)ethyl methacrylate): The Role of Polymer Size and Degree of Protonation von Blazhynska, Margaret M, Kyrychenko, Alexander, Kalugin, Oleg N

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Protonation-dependent adsorption of polyarginine onto silver nanoparticles von Kyrychenko, Alexander, Blazhynska, Margaret M., Kalugin, Oleg N.

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Acetonitrile Boosts Conductivity of Imidazolium Ionic Liquids von Chaban, Vitaly V, Voroshylova, Iuliia V, Kalugin, Oleg N, Prezhdo, Oleg V

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Probing structural patterns of ion association and solvation in mixtures of imidazolium ionic liquids with acetonitrile by means of relative (1)H and (13)C NMR chemical shifts von Marekha, Bogdan A, Kalugin, Oleg N, Bria, Marc, Idrissi, Abdenacer

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Main and papain-like proteases as prospective targets for pharmacological treatment of coronavirus SARS-CoV-2 von Yevsieieva, Larysa V, Lohachova, Kateryna O, Kyrychenko, Alexander, Kovalenko, Sergiy M, Ivanov, Volodymyr V, Kalugin, Oleg N

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Stimuli-responsive adsorption of poly(acrylic acid) onto silver nanoparticles: Role of polymer chain length and degree of ionization von Kyrychenko, Alexander, Blazhynska, Margaret M., Slavgorodska, Maria V., Kalugin, Oleg N.

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Conductometric study of binary systems based on ionic liquids and acetonitrile in a wide concentration range von Kalugin, Oleg N., Voroshylova, Iuliia V., Riabchunova, Anastasiia V., Lukinova, Elena V., Chaban, Vitaly V.

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Distance Angle Descriptors of the Interionic and Ion–Solvent Interactions in Imidazolium-Based Ionic Liquid Mixtures with Aprotic Solvents: A Molecular Dynamics Simulation Study von Koverga, Volodymyr A, Smortsova, Yevheniia, Miannay, François Alexandre, Kalugin, Oleg N, Takamuku, Toshiyuki, Jedlovszky, Pal, Marekha, Bogdan, Cordeiro, M. Natalia D. S, Idrissi, Abdenacer

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Translational Diffusion in Mixtures of Imidazolium ILs with Polar Aprotic Molecular Solvents von Marekha, Bogdan A., Kalugin, Oleg N., Bria, Marc, Buchner, Richard, Idrissi, Abdenacer

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Competition between Cation–Solvent and Cation–Anion Interactions in Imidazolium Ionic Liquids with Polar Aprotic Solvents von Marekha, Bogdan A., Kalugin, Oleg N., Bria, Marc, Takamuku, Toshiyuki, Gadžurić, Slobodan, Idrissi, Abdenacer

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