| Edição |
Título |
Arquivo |
| Volume 70, Nº 1 (2025) |
Hexagonal borophene stabilized by mixed doping: structure, stability, electronic and mechanical properties |
(Rus)
|
|
Steglenko D., Gribanova T., Minyaev R.
|
| Volume 70, Nº 1 (2025) |
Structure of hydrated and sulfated stannous acid. Quantum chemical modeling |
(Rus)
|
|
Zyubina Т., Zyubin А., Pisarev R., Pisareva А., Dobrovolsky Y.
|
| Volume 70, Nº 1 (2025) |
Thermodynamic modeling of phase formation conditions in the system CuO–CO2–H2O–NH3 |
(Rus)
|
|
Bublikova T., Setkova T., Balitsky V.
|
| Volume 69, Nº 9 (2024) |
Spin properties of chiral SiC nanotubes |
(Rus)
|
|
Dyachkov P., Kulyamin P.
|
| Volume 69, Nº 6 (2024) |
Quantum‒Chemical Simulation of Molecular Hydrogen Abstraction from Magnesium Borohydride Diammoniate |
(Rus)
|
|
Zyubin A., Zyubina T., Kravchenko O., Solov’ev M., Vasiliev V., Zaitsev A., Shikhovtsev A., Dobrovol’sky Y.
|
| Volume 69, Nº 5 (2024) |
Quantum chemical modeling of supertetrahedral crystal structures containing C4 and X4 (X = B, Al, Ga) tetrahedra |
(Rus)
|
|
Getmanskii I., Zaitsev S., Koval V., Minyaev R.
|
| Volume 69, Nº 5 (2024) |
Computer simulation of the properties and structure of crystalline 1,6-closo-carborane (С2B4)n |
(Rus)
|
|
Zaitsev S., Zaitseva Y., Getmanskiy I., Minyaev R.
|
| Volume 69, Nº 5 (2024) |
Spin properties of silicon-germanium nanotubes |
(Rus)
|
|
D’yachkov Е., Merinov V., D’yachkov P.
|
| Volume 69, Nº 4 (2024) |
Electronic Structure Of Cobalt Phosphates Co1-xmxpo4 Doped With Iron And Nickel Atoms |
(Rus)
|
|
Pecherskaya M., Galkina O., Ruzimuradov O., Mamatkulov S.
|
| Volume 68, Nº 11 (2023) |
Derivation of a Force Field for Computer Simulations of Multi-Walled Nanotubes Using Genetic Algorithm. I. Tungsten Disulfide |
(Rus)
|
|
Bandura A., Lukyanov S., Domnin A., Kuruch D., Evarestov R.
|
| Volume 68, Nº 10 (2023) |
Spin Selectivity of the Conductivity of Gold Nanotubes according to the Cylindrical Wave Method Data |
(Rus)
|
|
D’yachkov P., D’yachkov E.
|
| Volume 68, Nº 10 (2023) |
Nonempirical Modeling of Interactions of Fe2O2 and Fe2O4 Clusters with H2 and O2 Molecules |
(Rus)
|
|
Bozhenko K., Utenyshev A., Gutsev L., Gutsev G., Aldoshin S.
|
| Volume 68, Nº 8 (2023) |
Initial Stages of the Formation of the Supramolecular Structure of Ca and Mg Oxides |
(Rus)
|
|
Sakovich R., Shaulov A.
|
| Volume 68, Nº 7 (2023) |
Effect of Torsional Deformations on the Spin States of Carbon Nanotubes with Metallic Conductivity |
(Rus)
|
|
D’yachkov E., Lomakin N., D’yackov P.
|
| Volume 68, Nº 5 (2023) |
Prediction of the Melting Points of Double Halides |
(Rus)
|
|
Kiseleva N., Dudarev V., Stolyarenko A., Dokukin A., Sen’ko O., Kuznetsova Y.
|
| Volume 68, Nº 4 (2023) |
DFT Modeling of Isomerism of Doped Mg24L2 Clusters with Dopants L at the Surface and inside the Magnesium Cage |
(Rus)
|
|
Charkin O.
|
| Volume 68, Nº 4 (2023) |
Simulation of Spin Selectivity of Electrical Conductivity of Chiral Platinum Nanotubes |
(Rus)
|
|
D’yachkov P., Lomakin N.
|
| Volume 68, Nº 2 (2023) |
Equation of State of Periclase Based on Planck–Einstein Functions |
(Rus)
|
|
Perevoshchikov A., Maksimov A., Babayan I., Kovalenko N., Uspenskaya I.
|
| Volume 68, Nº 1 (2023) |
Sodium-Stabilized Hexagonal Borophene: Structure, Stability, and Electronic and Mechanical Properties |
(Rus)
|
|
Steglenko D., Gribanova T., Minyaev R., Minkin V.
|
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