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Vol 97, No 9 (2023)
Quantum-Chemical Simulation of 13C NMR Chemical Shifts of Fullerene C60 Exo-Derivatives
Tulyabaev A.R., Khalilov L.M.
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(Rus)
Vol 97, No 5 (2023)
Quantum-Chemical Modeling of Ag/CeO2 Nanoscale Catalysts
Shor E.A., Shor A.M., Nasluzov V.A.
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(Rus)
Vol 97, No 9 (2023)
Electron Capture Dissociation by Triclocarban Molecules
Asfandiarov N.L., Rakhmeev R.G., Safronov A.M., Pshenichnyuk S.A.
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(Rus)
Vol 99, No 7 (2025)
Dehydration of glycerol on mordenite: a density functional theory study
Shelyapina M.G., Zvereva I.A.
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(Rus)
Vol 97, No 5 (2023)
Theoretical Study of the Hydrolysis of Iron–Sulfur–Nitrosyl Complex [Fe(NO)2(SCH2)2]+
Luzhkov V.B., Krapivin V.B., Sanina N.A., Aldoshin S.M.
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(Rus)
Vol 97, No 9 (2023)
Hydrogenation of S6-C60(CF3)12
Romanova N.A., Markov V.Y., Goryunkov A.A.
PDF
(Rus)
Vol 99, No 4 (2025)
Adsorption and reaction of molecules of nitrogen oxide (NO) on the surface of nickel nano-sized clusters on aluminium oxide α-Al2O3(0001)
Magkoev T.T., Pukhaeva N.E., Men Y., Behjatmanesh-Ardakani R., Elahifard M., Ashkhotov О.G.
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(Rus)
Vol 97, No 6 (2023)
The Molecular Mechanism of H2O2 Decomposition in a Reaction with an Au25(SCH3)12 Cluster
Nikitenko N.G., Shestakov A.F.
PDF
(Rus)
Vol 99, No 4 (2025)
Quantum-chemical study of energies of maleimide and itaconimide isomeric derivatives
Panov A.A.
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(Rus)
Vol 97, No 7 (2023)
Acenaphto[1,2-k]fluoranthene: Role of the Carbon Framework Transformation for Tuning Electronic Properties
Brotsman V.A., Lukonina N.S., Rybalchenko A.V., Kosaya M.P., Ioffe I.N., Lysenko K.A., Sidorov L.N., Pshenichnyuk S.A., Asfandiarov N.L., Goryunkov A.A.
PDF
(Rus)
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