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Vol 70, No 7 (2025)
Quantum-chemical simulation of molecular hydrogen abstraction from the ZnMg(BH4)4 · 4NH3 bicationic complex
Zyubin A.S., Zyubina T.S., Kravchenko O.V., Solovev M.V., Vasiliev V.P., Zaitsev A.A., Shikhovtsev A.V., Dobrovol’sky Y.A.
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(Rus)
Vol 69, No 3 (2024)
Elastic Energy Relaxation During the Chemical Reaction with Single-Crystalline Silicon in the Process of Coordinated Substitution of Atoms
Kukushkin S.A., Osipov A.V.
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(Rus)
Vol 69, No 4 (2024)
Electronic Structure Of Cobalt Phosphates Co1-xmxpo4 Doped With Iron And Nickel Atoms
Pecherskaya M.D., Galkina O.A., Ruzimuradov O.N., Mamatkulov S.I.
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(Rus)
Vol 69, No 6 (2024)
Quantum‒Chemical Simulation of Molecular Hydrogen Abstraction from Magnesium Borohydride Diammoniate
Zyubin A.S., Zyubina T.S., Kravchenko O.V., Solov’ev M.V., Vasiliev V.P., Zaitsev A.A., Shikhovtsev A.V., Dobrovol’sky Y.A.
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(Rus)
Vol 68, No 10 (2023)
Nonempirical Modeling of Interactions of Fe2O2 and Fe2O4 Clusters with H2 and O2 Molecules
Bozhenko K.V., Utenyshev A.N., Gutsev L.G., Gutsev G.L., Aldoshin S.M.
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(Rus)
Vol 70, No 1 (2025)
Structure of hydrated and sulfated stannous acid. Quantum chemical modeling
Zyubina Т.S., Zyubin А.S., Pisarev R.V., Pisareva А.V., Dobrovolsky Y.А.
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(Rus)
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