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Anton L. Shatsauskas, Tatyana E. Mamonova, Anton J. Stasyuk, Sergey A. Chernenko, Pavel A. Slepukhin, Anastasia S. Kostyuchenko, Alexander S. Fisyuk
Rearrangement of 7-Aryloxazolo[5,4-b ]pyridines to Benzo[c ][1,7]naphthyridine-4(3H )-ones and Thieno[3,2-c ][1,7]naphthyridine-6(7H )-ones
J. Org. Chem., 2020, 85, 10072-10082
DOI: 10.1021/acs.joc.0c01299
Keywords: Computational chemistry

Olga A. Stasyuk, Anton J. Stasyuk, Alexander A. Voityuk, Miquel Solà
Covalent functionalization of single-walled carbon nanotubes by Bingel reaction for building charge-transfer complexes
J. Org. Chem., 2020, 85, 11721–11731
DOI: 10.1021/acs.joc.0c01384
Keywords: Computational chemistry, Cycloaddition, Excited states, Photovoltaic materials, Photochemistry

Anton J. Stasyuk, Olga A. Stasyuk, Salvatore Filippone, Nazario Martín, Miquel Solà, Alexander A. Voityuk
Stereocontrolled Photoinduced Electron Transfer in Metal-Fullerene Hybrids
Chem. Eur. J., 2018, 24, 13020-13025
DOI: 10.1002/chem.201802381
Keywords: Computational chemistry, Density Functional Theory, Electron and energy transfer, Excited states, Fullerenes

Alexander A. Voityuk, Anton J. Stasyuk, Sergei F. Vyboishchikov
A simple model for calculating atomic charges in molecules
Phys. Chem. Chem. Phys., 2018, 20, 23328-23337
DOI: 10.1039/c8cp03764g
Keywords: Ab initio theory, Chemical bonding, Computational chemistry, Method development, Real-space analysis



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