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Vol 92, No 11 (2018)
Density Functional Calculations for Disordered Boron Carbide Crystals
Konovalikhin S.V., Kovalev D.Y., Guda S.A.
PDF
(Eng)
Vol 92, No 8 (2018)
Standard Partial Molar Heat Capacities and Volumes of Barium and Cadmium Ions in Dimethylformamide at 298.15 K
Doronin Y.I., Vasilev V.A., Rakhmanova P.A., Novikov A.N.
PDF
(Eng)
Vol 92, No 2 (2018)
Computational Study of Regioselective Synthesis of Triflylpyrazole by Cycloaddition Reaction between Diphenyl Hydrazonoyl Chloride and Phenyl Triflyl Acetylene
Nakhaei A., Davoodnia A., Morsali A.
PDF
(Eng)
Vol 91, No 8 (2017)
Quantum chemical assessment of the ligand effect on the properties and structure of protected gold clusters
Nikitina N.A., Pichugina D.A., Kuz’menko N.E.
PDF
(Eng)
Vol 91, No 2 (2017)
Volume properties and refraction of aqueous solutions of bisadducts of light fullerene С60 and essential amino acids lysine, threonine, and oxyproline (С60(C6H13N2O2)2, С60(C4H8NO3)2, and С60(C5H9NO2)2) at 25°C
Semenov K.N., Ivanova N.M., Charykov N.A., Keskinov V.A., Kalacheva S.S., Duryagina N.N., Garamova P.V., Kulenova N.A., Nabieva A.
PDF
(Eng)
Vol 90, No 12 (2016)
Measurement and modeling of density and viscosity of n-octanol–kerosene–phosphoric acid solutions in a temperature range 293.15–333.15 K
Ye C., Pei X., Liu J.C.
PDF
(Eng)
Vol 90, No 6 (2016)
DFT study on oxidation of HS(CH2)mSH (m = 1–8) in oxidative desulfurization
Song Y.Z., Song J.J., Zhao T.T., Chen C.Y., He M., Du J.
PDF
(Eng)
Vol 92, No 11 (2018)
Standard Partial Molar Heat Capacity and the Volume of the Cadmium Ion in Acetonitrile at 298.15 K
Doronin Y.I., Novikov A.N., Rassokhina L.Y., Kostyleva E.I., Vasilev V.A., Rakhmanova P.A.
PDF
(Eng)
Vol 92, No 8 (2018)
DFT Calculations of Structure and Properties of Asymmetric Clusters (HClInN3)n (n = 1–6)
Zhidu Chen , Ma D., Liu G., Xia Q.
PDF
(Eng)
Vol 91, No 13 (2017)
Molecular Interactions in 1,4-Dioxane, Tetrahydrofuran, and Ethyl Acetate Solutions of 1,1′-Bis(4-isopropyloxyacetylphenoxy)cyclohexane on Reological, Density, and Acoustic Behavior
Dhaduk B.B., Patel C.B., Parsania P.H.
PDF
(Eng)
Vol 91, No 8 (2017)
Effect of adding ionic liquid 1-ethyl-3-methylimidazolium tetrafluoroborate on the coordination environment of Li+ ions in propylene carbonate, according to data from IR spectroscopy and quantum chemical modeling
Shestakov A.F., Yudina A.V., Tulibaeva G.Z., Shul’ga Y.M., Ignatova A.A., Yarmolenko O.V.
PDF
(Eng)
Vol 91, No 2 (2017)
Theoretical and experimental study of the transformation of 2-pyridone-5-amide into nitrile
Koval’ Y.I., Okul’ E.M., Yatsenko A.V., Babaev E.V., Polyakova I.N., Rybakov V.B.
PDF
(Eng)
Vol 90, No 10 (2016)
[Ca(BH4)2]n clusters as hydrogen storage material: A DFT study
Han C., Dong Y., Wang B., Zhang C.
PDF
(Eng)
Vol 92, No 11 (2018)
Structure of Equations for Multicomponent Mixtures in Heterogeneous Systems According to Size Fluctuations and the Intermolecular Degrees of Freedom of Components
Tovbin Y.K.
PDF
(Eng)
Vol 92, No 7 (2018)
Standard Partial Molar Heat Capacities and Volumes of Barium and Cadmium Ions in Dimethylsulfoxide at 298.15 K
Novikov A.N., Doronin Y.I., Rakhmanova P.A.
PDF
(Eng)
Vol 91, No 12 (2017)
Estimating the sizes of small single crystals satisfying the Wolf theorem
Titov S.V., Zaitseva E.S., Tovbin Y.K.
PDF
(Eng)
Vol 91, No 6 (2017)
Effect of the thermoelastic properties of components on the melting point of filamentary nanoparticles of Cu, Ag, and Au in the matrix of anodic Al2O3
Bardushkin V.V., Kirillov D.A., Shilyaeva Y.I., Gavrilov S.A., Yakovlev V.B., Silibin M.V.
PDF
(Eng)
Vol 90, No 13 (2016)
Analysis of the [CuLn]2+ and [CuGn]2+ (n = 2–4) complex structures: Comparison with CID experiment and DFT calculation
Zhang S., Liu H., Cheng P., Ren D., Gong X.
PDF
(Eng)
Vol 90, No 8 (2016)
Recombination of ions of a dense ion plasma in a fluorine atmosphere
Lankin A.V.
PDF
(Eng)
Vol 90, No 6 (2016)
Formation of the layering boundary in the water–benzene–perfluorobenzene system
Zhuchkov V.I., Pokid’ko B.V., Frolkova A.K.
PDF
(Eng)
Vol 92, No 10 (2018)
High-Pressure Electronic Structure and Optical Properties of N-Doped ZnO
LingPing Xiao , Li X., Zeng L.
PDF
(Eng)
Vol 92, No 5 (2018)
Radical Abstraction Reactions with Concerted Fragmentation in the Chain Decay of Nitroalkanes
Denisov E.T., Shestakov A.F.
PDF
(Eng)
Vol 91, No 11 (2017)
Effect of the collective motions of molecules inside a condensed phase on fluctuations in the density of small bodies
Tovbin Y.K.
PDF
(Eng)
Vol 91, No 6 (2017)
Activation diffusion of oxygen under conditions of the metal-semiconductor phase transition in vanadium dioxide
Boriskov P.P., Belyaev M.A., Velichko A.A.
PDF
(Eng)
Vol 90, No 13 (2016)
DFT studies on structural properties and electron density topologies of the iron selenides FemSen (1 ≤ m, n ≤ 4)
Zhang J., Liu J.
PDF
(Eng)
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