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Vol 57, No 6 (2016)

Molecular dynamics study of self-radiation damage in mineral matrices

Grechanovsky A.E., Urusov V.S., Eremin N.N.

(Eng)

Vol 60, No 5 (2019)

Investigation of Lithium-Ion Diffusion in LiCoPO₄ Cathode Material by Molecular Dynamics Simulation

Dehghan F., Mohammadi-Manesh H., Loghavi M.M.

(Eng)

Vol 59, No 6 (2018)

Simulation of Pyramidal Inversion of Nitrogen in Tetrahydro-1,3-Oxazines in Polar Medium

Kuznetsov V.V.

(Eng)

Vol 58, No 2 (2017)

Simulation of glycyrrhizic acid associates with cholesterol in methanol

Anikeenko A.V., Zelikman M.V., Kadtsyn E.D., Medvedev N.N.

(Eng)

Vol 57, No 8 (2016)

Halogen aggregation in chlorobenzene-o-dichlorobenzene solutions

Alekseev E.S., Bogdan T.V.

(Eng)

Vol 60, No 3 (2019)

The Structure of Water Condensate Nuclei in the Field of Surface Crystalline Defects on the Basal Face of β-AgI

Shevkunov S.V.

(Eng)

Vol 59, No 6 (2018)

Thermodynamically Motivated Criterion of Hydrogen Bonds in Water Simulations

Teplukhin A.V.

(Eng)

Vol 58, No 2 (2017)

Computer simulation of amino acid sorption on carbon nanotubes

Nechaeva L.S., Butyrskaya E.V., Zapryagaev S.A.

(Eng)

Vol 57, No 8 (2016)

Electronic structure and magnetic properties of hexagonal and cubic forms of aluminum nitride doped with sp impurities (B, C, O)

Bannikov V.V., Kudyakova V.S., Elagin A.A., Baranov M.V., Beketov A.R.

(Eng)

Vol 60, No 1 (2019)

Molecular Cycles (H₂O)_n on the Substrates with Hexagonal Crystal Structure

Shevkunov S.V.

(Eng)

Vol 59, No 6 (2018)

Modification of the Optical and Electronic Properties of TiO₂ By N Anion-Doping for Augmentation of the Visible Light Assisted Photocatalytic Performance

Zhang D., Wang J.

(Eng)

Vol 58, No 1 (2017)

Local atomic and electronic structure of quantum dots based on Mn- and Co-doped ZnS

Kravtsova A.N., Budnik A.P., Pankin I.A., Lastovina T.A., Bugaev A.L., Popov L.D., Soldatov M.A., Butova V.V., Soldatov A.V.

(Eng)

Vol 57, No 5 (2016)

Structure of small associates of glycyrrhizic acid with cholesterol in aqueous solution: Molecular dynamics simulation

Zelikman M.V., Kim A.V., Medvedev N.N.

(Eng)

Vol 59, No 3 (2018)

Water Structure in the Contact Layer on the Surface of Crystalline Silver Iodine

Shevkunov S.V.

(Eng)

Vol 58, No 8 (2017)

Effect of synthesis conditions on the structure and properties of new SiC_xN_yM_z materials for spintronics

Fainer N.I., Pushkarev R.V., Shestakov V.A., Gutakovskii A.K.

(Eng)

Vol 58, No 1 (2017)

Quantum chemical simulation of low-basic AN-221(НСl) anion exchanger during the hydration and non-exchangeable absorption of phenylalanine

Trunaeva E.S., Khokhlova O.N., Khokhlov V.Y.

(Eng)

Vol 57, No 5 (2016)

Structure and some physicochemical properties of carbon and silicon phases with a LA3 diamond-like lattice

Belenkov E.A., Greshnyakov V.A.

(Eng)

Vol 59, No 2 (2018)

Formation of Compressed and Mixed-Layered Graphite on Heating Impact Diamonds

Gromilov S.A., Nikolaev R.E., Cherepanova S.V.

(Eng)

Vol 58, No 8 (2017)

Thermodynamic simulation and experimental investigation of reactive chemical vapor deposition in the Ta–C–Si–O–F system

Lozanov V.V., Baklanova N.I., Piryazev D.A.

(Eng)

Vol 57, No 4 (2016)

Electronic structure of non-stoichiometric ZrCuSiAs-like layered LaZnAsO_1–δ compositions: FLAPW-GGA modeling

Bannikov V.V., Shein I.R.

(Eng)

Vol 59, No 2 (2018)

Structure of Aqueous Solutions of Trimethylaminoxide, Urea, and Their Mixture

Kadtsyn E.D., Anikeenko A.V., Medvedev N.N.

(Eng)

Vol 58, No 7 (2017)

Structure of a Na⁺ cation hydration shell on heating in a planar nanopore

Shevkunov S.V.

(Eng)

Vol 57, No 6 (2016)

New gadolinium polyselenide GdSe_1.89(6) in the PbFCl matlockite structure type

Zelenina L.N., Chusova T.P., Podberezskaya N.V., Korolkov I.V., Piryazev D.A.

(Eng)

Vol 57, No 4 (2016)

Effect of the calculation method and the basis set on the structure and electrical properties of (4,4) carbon nanotubes with different lengths and open ends

Butyrskaya E.V., Zapryagaev S.A., Nechaeva L.S., Karpushin A.A., Izmailova E.A.

(Eng)

Vol 60, No 10 (2019)

Thermodynamic and Structural Characteristics of SPC/E Water at 290 K and under High Pressure

Teplukhin A.V.

(Eng)

Vol 59, No 8 (2018)

Structure and Morphology of Cds Nanoparticles

Evtushok B.Y., Cherepanova S.V., Kozlova E.A.

(Eng)

Vol 58, No 6 (2017)

X-ray spectroscopy study of lithiated graphite obtained by thermal deposition of lithium

Lapteva L.L., Fedoseeva Y.V., Gevko P.N., Smirnov D.A., Gusel’nikov A.V., Bulusheva L.G., Okotrub A.V.

(Eng)

Vol 57, No 6 (2016)

Structure of liquid chlorobenzene in the temperature range 293-363 K

Alekseev E.S., Bogdan T.V.

(Eng)

Vol 57, No 3 (2016)

In silico study of the atomic and electronic structure of quantum dots of the CdTe family doped with atoms of rare earth elements

Kravtsova A.N., Suchkova S.A., Fayn M.B., Soldatov A.V.

(Eng)

Vol 60, No 8 (2019)

Molecular Dynamics Simulation of the Aging Process of the Cysteine-Silver Solution

Malyshev M.D., Baburkin P.O., Adamyan A.N., Khizhnyak S.D., Pakhomov P.M., Komarov P.V.

(Eng)

Vol 59, No 7 (2018)

Monte Carlo Simulation of the Local Ordering of Water Molecules. II. Spatial Correlations and Hydrogen Bonds

Teplukhin A.V.

(Eng)

Vol 58, No 2 (2017)

Role of the conservative interhelical hydrogen bond Ser74–Trp158 at the cholesterol binding site in the conformational stability of the β₂-adrenergic receptor: Molecular dynamics simulation

Bogdan T.V., Alekseev E.S.

(Eng)

Vol 57, No 6 (2016)

Structure of zirconium tetrahydroborate Zr(BH₄)₄: A molecular dynamics study

Igoshkin A.M., Golovnev I.F., Krisyuk V.V., Igumenov I.K.

(Eng)

Vol 57, No 1 (2016)

Phenomenon of the ousting of a monatomic ion from its hydration shell in flat nanopores

Shevkunov S.V.

(Eng)

1 - 34 of 34 Items

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