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Physical Chemistry Chemical Physics : PCCP|January 13, 2018
Atomic charges for conformationally rich molecules obtained through a modified principal component regressionTymofii Yu Nikolaienko, Leonid A Bulavin
Molecular Informatics|August 4, 2016
The Complexation of the Anticancer Drug ThioTEPA with Methylated DNA Base Guanine: Combined Ab Initio and QTAIM InvestigationTymofii Yu Nikolaienko, Leonid A Bulavin, Leonid F Sukhodub
Physical Chemistry Chemical Physics : PCCP|April 20, 2012
Bridging QTAIM with vibrational spectroscopy: the energy of intramolecular hydrogen bonds in DNA-related biomoleculesTymofii Yu Nikolaienko, Leonid A Bulavin, Dmytro M Hovorun
Physical Chemistry Chemical Physics : PCCP|October 18, 2012
Structural flexibility of DNA-like conformers of canonical 2'-deoxyribonucleosidesTymofii Yu Nikolaienko, Leonid A Bulavin, Dmytro M Hovorun
Physical Review. E|June 20, 2019
Sedimentation of a suspension of rods: Monte Carlo simulation of a continuous two-dimensional problemNikolai I Lebovka, Yuri Yu Tarasevich, Leonid A Bulavin, et al.
Journal of Physics. Condensed Matter : an Institute of Physics Journal|September 24, 2013
The spatial diamond-graphite transition in detonation nanodiamond as revealed by small-angle neutron scatteringMikhail V Avdeev, Victor L Aksenov, Oleksandr V Tomchuk, et al.
Molecules (Basel, Switzerland)|April 23, 2022
Structure and Intermolecular Interactions in Aqueous Solutions of Polyethylene GlycolLászló Almásy, Oleksandr P Artykulnyi, Viktor I Petrenko, et al.
ACS Applied Materials & Interfaces|June 30, 2020
Fullerenes as an Effective Amyloid Fibrils Disaggregating NanomaterialKatarina Siposova, Viktor I Petrenko, Oleksandr I Ivankov, et al.
Soft Matter|May 12, 2025
Determining hydrogel porosity through dielectric relaxation intensity ratios between water and hydrogelMaksym M Lazarenko, Yuriy F Zabashta, Dmytro K Honcharuk, et al.
RSC Advances|December 12, 2024
Thermally activated processes: the underlying mechanism of activated state formationMaksym M Lazarenko, Yuriy F Zabashta, Oleksandr M Alekseev, et al.
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