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The Journal of Physical Chemistry. B|September 26, 2014
Complexation of Ni(ClO4)2 and Mg(ClO4)2 with 3-hydroxyflavone in acetonitrile medium: conductometric, spectroscopic, and quantum chemical investigationVira N Agieienko, Oleg N Kalugin
Physical Chemistry Chemical Physics : PCCP|June 11, 2015
Non-covalent interactions in ionic liquid ion pairs and ion pair dimers: a quantum chemical calculation analysisBogdan A Marekha, Oleg N Kalugin, Abdenacer Idrissi
Biophysical Chemistry|May 22, 2024
Critical assessment of popular biomolecular force fields for molecular dynamics simulations of folding and enzymatic activity of main protease of coronavirus SARS-CoV-2Kateryna O Lohachova, Alexander Kyrychenko, Oleg N Kalugin
Physical Chemistry Chemical Physics : PCCP|February 21, 2017
Poly(vinyl alcohol) as a water protecting agent for silver nanoparticles: the role of polymer size and structureAlexander Kyrychenko, Dmitry A Pasko, Oleg N Kalugin
Nano Letters|July 24, 2008
Ab initio study of phonon-induced dephasing of electronic excitations in narrow graphene nanoribbonsBradley F Habenicht, Oleg N Kalugin, Oleg V Prezhdo
The Journal of Physical Chemistry Letters|August 18, 2015
Control of Carbon Nanotube Electronic Properties by Lithium Cation IntercalationOleksandr M Korsun, Oleg N Kalugin, Oleg V Prezhdo
Journal of Physics. Condensed Matter : an Institute of Physics Journal|February 14, 2017
Dynamics and structure of nickel chloride-methanol solutions: quasi-elastic neutron scattering and molecular dynamics simulationsAshok K Adya, Oleg N Kalugin, W Spencer Howells
Physical Chemistry Chemical Physics : PCCP|March 30, 2011
A new force field model for the simulation of transport properties of imidazolium-based ionic liquidsVitaly V Chaban, Iuliia V Voroshylova, Oleg N Kalugin
The Journal of Chemical Physics|May 24, 2014
Structure, solvation, and dynamics of Mg²⁺, Ca²⁺, Sr²⁺, and Ba²⁺ complexes with 3-hydroxyflavone and perchlorate anion in acetonitrile medium: a molecular dynamics simulation studyVira N Agieienko, Yaroslav V Kolesnik, Oleg N Kalugin
Physical Chemistry Chemical Physics : PCCP|August 18, 2015
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 shiftsBogdan A Marekha, Oleg N Kalugin, Marc Bria, et al.
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