Kharkiv University Bulletin. Chemical Series

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No. 42 (2024): V. N. Karazin Kharkiv National University Bulletin. Chemical series

Published: 2024-06-21

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Articles

Towards the discovery of molecules with anti-COVID-19 activity: Relationships between screening and docking results

Dmytro Anokhin, Sergiy Kovalenko, Pavlo Trostianko, Alexander Kyrychenko, Anton Zakharov, Tetiana Zubatiuk, Volodymyr Ivanov, Oleg Kalugin

6-14
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C=O group versus C=C(CN)2 moiety from the viewpoint of electronic absorption and fluorescence spectroscopy

Andrey Doroshenko

15-22
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Microstructure and transport properties of lithium hexafluorophosphate solutions in binary mixture of dimethyl carbonate with ethylene carbonate from molecular dynamics simulation

Dmytro Dudariev, Yevhenii Holubenko, Rebie Jallah, Oleg Kalugin

23-37
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Electronic structure of mesoionic compounds. The classification problem

Mariia Kyrpa, Sergiy Kovalenko, Volodymyr Ivanov

38-44
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Computing ionization free energies of indicator dyes in micelles with fast growth alchemical transformation

Volodymyr Farafonov

45-52
- PDF (Українська)
On structural invariants of energy spectrum of S=1 Heisenberg antiferromagnets with single-ion anisotropy

Victor Tokariev, Mariia Fedorenko

53-61
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Comparison of radical scavenging properties of gosypol and its derivatives in the reaction with DPPH

Oleksii Dykun, Viktor Anishchenko, Andrii Redko, Volodymyr Rybachenko

62-67
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Absorption spectra of Nitrazine Yellow indicator. Experimental data and quantum chemical evaluations

Inna Khristenko, Volodymyr Ivanov

68-76
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Editorial

Volodymyr Dmytrovich Kalugin

77-78
- PDF (Українська)

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