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Physical Chemistry Chemical Physics : PCCP|February 20, 2019
The maximum occupancy condition for the localized property-optimized orbitalsTymofii Yu NikolaienkoNanoscale Research Letters|May 19, 2015
Formation of dimers of light noble atoms under encapsulation within fullerene's voidsTymofii Yu Nikolaienko, Eugene S KryachkoPhysical Chemistry Chemical Physics : PCCP|January 13, 2018
Atomic charges for conformationally rich molecules obtained through a modified principal component regressionTymofii Yu Nikolaienko, Leonid A BulavinPhysical 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 HovorunPhysical Chemistry Chemical Physics : PCCP|October 18, 2012
Structural flexibility of DNA-like conformers of canonical 2'-deoxyribonucleosidesTymofii Yu Nikolaienko, Leonid A Bulavin, Dmytro M HovorunMolecular 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 SukhodubJournal of Computational Chemistry|September 7, 2017
On the Existence of HeHe Bond in the Endohedral Fullerene Hе<sub>2</sub> @C<sub>60</sub>Tymofii Yu Nikolaienko, Eugene S Kryachko, Grygoriy A DolgonosPhysical Chemistry Chemical Physics : PCCP|December 18, 2015
Nucleotides containing variously modified sugars: energetics, structure, and mechanical propertiesYevgen P Yurenko, Jan Novotný, Tymofii Yu Nikolaienko, et al.Pageof 1