Analysis of 2-deoxy-D-ribofuranose molecule conformational capacity with the quantum-mechanical density functional method von Nikolaienko, T. Yu, Bulavin, L. A., Hovorun, D. M.

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Approximating Electrostatic Potential of Molecules with Point Charges Mimicking the Electron Pairs von Nikolaienko, T.Yu, Bulavin, L.A.

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Conformational capacity of 5'-deoxyguanylic acid molecule investigated by quantum-mechanical methods von Nikolaienko, T. Yu, Bulavin, L. A., Hovorun, D. M.

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Can we treat ab initio atomic charges and bond orders as conformation-independent electronic structure descriptors? von Nikolaienko, T. Yu, Bulavin, L. A., Hovorun, D. M.

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Comparison of thermal characteristics of three modifications of gravity heat pipe with threaded evaporator at different inclination angles von Pekur, D.V., Nikolaenko, Yu.E., Kravets, V.Yu, Kozak, D.V., Sorokin, V.M., Nikolaienko, T.Yu

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Research on two-phase heat removal devices for power electronics von Nikolaenko, Yu.E., Alekseik, Ye.S., Kozak, D.V., Nikolaienko, T.Yu

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On the Problem of He–He Bond in the Endohedral Fullerene He2@C60 von Dolgonos, G. A., Kryachko, E. S., Nikolaienko, T. Yu

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Can we treat ab initio atomic charges and bond orders as conformation-independent electronic structure descriptors?Electronic supplementary information (ESI) available: A Python co... von Nikolaienko, T. Yu, Bulavin, L. A, Hovorun, D. M

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Erratum to: To the article “Quantum Mechanical Interpretation of the IR Spectrum of 2-Deoxy-D-ribose in the OH Group Stretching Vibration Region” by T. Yu. Nikolaenko, L. A. Bulavi... von Nikolaienko, T. Yu, Bulavin, L. A., Hovorun, D. N.

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Discrete Properties of Quasiliquid Water Film in the Ice Premelting Range. 1. Temperature Dependences of Water Nanofilm Thickness and Viscoelastic Properties of Polycrystalline Ice von Kornienko, M.E, Sheiko, N.L., Kornienko, O.M., Nikolaienko, T.Yu

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Neutron scattering investigations of the lipid bilayer structure pressure dependence von D. V. Soloviov, L. A. Bulavin, V. I. Gordeliy, Yu. E. Gorshkova, O. I. Ivankov, Y. S. Kovalev, A. I. Kuklin, T. Yu. Nikolaienko

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Spectral Properties of Thin Films of Squaraine Dyes, Deposited on Silver and Gold Nanoparticles von Gaponov, A. M., Pavlenko, O. L., Dmytrenko, O. P., Kulish, M. P., Pinchuk-Rugal, T. M., Busko, T. O., Nikolaienko, T. Yu, Neimash, V. B., Kachkovsky, O. D.

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The maximum occupancy condition for the localized property-optimized orbitals von Nikolaienko, Tymofii Yu

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The machine-learned radii of atoms von Nikolaienko, Tymofii Yu, Bulavin, Leonid A.

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On the Existence of HeHe Bond in the Endohedral Fullerene Hе2@C60 von Yu. Nikolaienko, Tymofii, Kryachko, Eugene S., Dolgonos, Grygoriy A.

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Interaction of anticancer drug doxorubicin with sodium oleate bilayer: Insights from molecular dynamics simulations von Nikolaienko, Tymofii Yu

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Personalization of User Experience in Language Learning through Large Language Model Assistants von Shvyndia, Andrii M, Nikolaienko, Anasasiia Yu

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Atomic charges for conformationally rich molecules obtained through a modified principal component regression von Nikolaienko, Tymofii Yu, Bulavin, Leonid A

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Bridging QTAIM with vibrational spectroscopy: the energy of intramolecular hydrogen bonds in DNA-related biomolecules von NIKOLAIENKO, Tymofii Yu, BULAVIN, Leonid A, HOVORUN, Dmytro M

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Atomic charges for conformationally rich molecules obtained through a modified principal component regressionElectronic supplementary information (ESI) available: The source code o... von Nikolaienko, Tymofii Yu, Bulavin, Leonid A

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