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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 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.
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(Rus)
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 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.
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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.
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(Rus)
1 - 9 of 9 Items

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