| Issue |
Title |
File |
| Vol 90, No 13 (2016) |
DFT studies on structural properties and electron density topologies of the iron selenides FemSen (1 ≤ m, n ≤ 4) |
(Eng)
|
|
Zhang J., Liu J.
|
| Vol 90, No 12 (2016) |
Adsorption of carbon oxide on tetrahedral bimetallic gold–copper clusters |
(Eng)
|
|
Gogol’ V.V., Pichugina D.A., Kuz’menko N.E.
|
| Vol 90, No 12 (2016) |
Complexation of mercury(II) with 1-Phenyl-2,3-dimethylpyrazoline-5-thione in 0.1 mol/L HNO3 at 273–338 K |
(Eng)
|
|
Beknazarova N.S., Shoalifov D.O., Amindzhanov A.A., Safarmamadov S.M.
|
| Vol 90, No 12 (2016) |
A comparative DFT study of oxygen reduction reaction on mononuclear and binuclear cobalt and iron phthalocyanines |
(Eng)
|
|
Chen X., Li M., Yu Z., Ke Q.
|
| Vol 90, No 12 (2016) |
Molecular dynamics simulation of the key characteristics of the supercritical CO2–pentaerythritol tetraacetate system |
(Eng)
|
|
Lei P., Jin Z., Liu H., Wang D., Liu D.
|
| Vol 90, No 11 (2016) |
On the similarity between the energy characteristics of strontium and europium |
(Eng)
|
|
Belyaev V.N.
|
| Vol 90, No 11 (2016) |
Structure and properties of (1–x)LiPO3−xSiO2 and 50Li2O−(50–x)P2O5−xSiO2 glass-forming systems |
(Eng)
|
|
Pershina S.V., Raskovalov A.A., Antonov B.D., Reznitskikh O.G., Vovkotrub E.G., Batalov N.N., Kadyrova N.I.
|
| Vol 90, No 11 (2016) |
Quantum chemical studies on the reactivity of oxazole derivatives |
(Eng)
|
|
Hosseinzadeh B., Eskandari K., Zarandi M., Asli R.
|
| Vol 90, No 11 (2016) |
Solvent effect on the stability and properties of platinum-substituted borirene and boryl isomers: The polarizable continuum model |
(Eng)
|
|
Ghiasi R., Peikari A.
|
| Vol 90, No 10 (2016) |
O–H···C hydrogen bond in the methane–water complex |
(Eng)
|
|
Isaev A.N.
|
| Vol 90, No 10 (2016) |
Molecular-dynamic study of liquid ethylenediamine |
(Eng)
|
|
Balabaev N.K., Kraevskii S.V., Rodnikova M.N., Solonina I.A.
|
| Vol 90, No 10 (2016) |
Preparing oxidized fractions of polyvinyl alcohol of a given molecular mass |
(Eng)
|
|
Zimin Y.S., Kutlugil’dina G.G., Mustafin A.G.
|
| Vol 90, No 10 (2016) |
[Ca(BH4)2]n clusters as hydrogen storage material: A DFT study |
(Eng)
|
|
Han C., Dong Y., Wang B., Zhang C.
|
| Vol 90, No 9 (2016) |
Formation of charged H3O+ and OH– fragments at consistent shifts of protons in water clusters |
(Eng)
|
|
Bednyakov A.S., Novakovskaya Y.V.
|
| Vol 90, No 9 (2016) |
Structure and energy of formation of β- and γ-cyclodextrin complexes with amino acid enantiomers |
(Eng)
|
|
Borisov Y.A., Kiselev S.S.
|
| Vol 90, No 9 (2016) |
Structure of a composite material based on oxyfluoride glass and low-melting fluoroplast |
(Eng)
|
|
Ignat’eva L.N., Savchenko N.N., Lalayan V.M., Zverev G.A., Usol’tseva T.I., Ustinov A.Y., Shaulov A.Y., Berlin A.A., Buznik V.M.
|
| Vol 90, No 9 (2016) |
Algorithm and criterion of quality for assessing the packing of polymer microspheres |
(Eng)
|
|
Kozlov A.A., Abdullaev S.D., Flid V.R., Gusev S.A.
|
| Vol 90, No 9 (2016) |
Method for calculating the sizes of nucleation centers upon homogeneous crystallization from a supercooled liquid |
(Eng)
|
|
Aleksandrov V.D., Pokyntelytsia O.A.
|
| Vol 90, No 9 (2016) |
Method for calculating the parameters of formation of hydrates from multicomponent gases |
(Eng)
|
|
Zaporozhets E.P., Shostak N.A.
|
| Vol 90, No 9 (2016) |
Singlet–triplet energy differences in divalent five membered cyclic conjugated Arduengo-type carbenes XC2HN2M (M = C, Si, Ge, Sn, and Pb; X = F, Cl, Br, and I) |
(Eng)
|
|
Vessally E., Dehbandi B., Ahmadi E.
|
| Vol 90, No 9 (2016) |
Density functional theory of tautomerism and water-assisted proton transfer of glycoluril |
(Eng)
|
|
Beni A.S., Aazari M., Chermahini A.N., Zarandi M.
|
| Vol 90, No 8 (2016) |
Interaction of positional isomers of dimethylbenzene with graphite |
(Eng)
|
|
Pokrovskiy O.I., Ustinovich K.B., Usovich O.I., Parenago O.O., Lunin V.V.
|
| Vol 90, No 8 (2016) |
Potential function of the internal rotation of a methacrolein molecule in the ground (S0) electronic state |
(Eng)
|
|
Koroleva L.A., Krasnoshchekov S.V., Matveev V.K., Pentin Y.A.
|
| Vol 90, No 7 (2016) |
Estimating the energy of intramolecular hydrogen bonds in chitosan oligomers |
(Eng)
|
|
Mikhailov G.P., Lazarev V.V.
|
| Vol 90, No 7 (2016) |
Complexation of 1-hexadecyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide with nickel nitrate in acetone |
(Eng)
|
|
Zhiltsova E.P., Lukashenko S.S., Ibatullina M.R., Kutyreva M.P., Zakharova L.Y.
|
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