| Issue |
Title |
File |
| Vol 64, No 14 (2019) |
QTAIM Analysis of Mono-Hydroxy Derivatives of closo-Borate Anions [BnHn– 1OH]2– (n = 6, 10, 12) |
|
|
Klyukin I.N., Novikov A.S., Zhdanov A.P., Zhizhin K.Y., Kuznetsov N.T.
|
| Vol 63, No 11 (2018) |
Quantitative Description of Properties of Nickel-Containing Nanocomposites Affecting Their Magnetic Characteristics |
|
|
Semenov S.A., Musatova V.Y., Drobot D.V., Dzhardimalieva G.I.
|
| Vol 64, No 14 (2019) |
Quantum Chemical Relationship between Generalized Anomeric Effect and Thermodynamic Parameters in M2Cl2 (M = O, S, Se) |
|
|
Mokhayeri Z., Fazaeli R.
|
| Vol 62, No 12 (2017) |
Quantum-chemical analysis of the thermodynamic isotope effect in quasi-one-dimensional H-bonded Pb(H/D)PO4 ferroelectrics |
|
|
Mikhailova T.Y., Breslavskaya N.N., Dolin S.P.
|
| Vol 64, No 5 (2019) |
Quantum-Chemical DFT Calculation of the Molecular Structures of “Template” Heteroligand (6666)Macrotetracyclic 3d M(II) Chelates with a 16-Membered Macrocyclic Ligand and Cl− Ions |
|
|
Chachkov D.V., Mikhailov O.V.
|
| Vol 63, No 7 (2018) |
Quantum-Chemical Modeling of B32 Complexes with Nitrogen: Endo or Exo? |
|
|
Starikov A.G., Minyaev R.M., Starikova A.A., Minkin V.I.
|
| Vol 61, No 6 (2016) |
Quantum-chemical modeling of dehydrogenation of a sodium borohydride molecule in water |
|
|
Zyubin A.S., Zyubina T.S., Kravchenko O.V., Solov’ev M.V., Dobrovol’skii Y.A.
|
| Vol 61, No 11 (2016) |
Quantum-chemical modeling of lithiation of a silicon–silicon carbide composite |
|
|
Zyubin A.S., Zyubina T.S., Dobrovol’skii Y.A., Volokhov V.M.
|
| Vol 61, No 13 (2016) |
Quantum-chemical modeling of lithiation–delithiation of infinite fibers [SinCm]k (k = ∞) for n = 12–16 and m = 8–19 and small silicon clusters |
|
|
Zyubina T.S., Zyubin A.S., Dobrovol’skii Y.A., Volokhov V.M.
|
| Vol 62, No 9 (2017) |
Quantum-chemical modeling of lithium removal from lithium–silicon–silicon carbide composite |
|
|
Zyubin A.S., Zyubina T.S., Dobrovol’skii Y.A., Volokhov V.M.
|
| Vol 61, No 2 (2016) |
Quantum-chemical modeling of the molecular structures of (555)macrotricyclic chelates in M(II) ion–thiooxamide–glyoxal ternary systems (M = Mn, Fe, Co, Ni, Cu, Zn) |
|
|
Mikhailov O.V., Chachkov D.V.
|
| Vol 63, No 1 (2018) |
Quantum-Chemical Modeling of the Surface Contact of Superionic Conductor Li10GeP2S12 with Different Materials |
|
|
Zyubin A.S., Zyubina T.S., Dobrovol’skii Y.A., Volokhov V.M.
|
| Vol 62, No 13 (2017) |
Quantum-chemical models of the molecular structures of open-chain and macrocyclic d-metal chelates with (N,O)- and (N,S)-donor polydentate ligands |
|
|
Mikhailov O.V.
|
| Vol 61, No 12 (2016) |
Quantum-chemical simulation of the elementary step of the oxidation reactions of styrene and its derivatives involving 1О2 (1Δg) |
|
|
Breslavskaya N.N., Dolin S.P., Markov A.A., Mikhailova T.Y., Moiseeva N.I., Gekhman A.E.
|
| Vol 61, No 10 (2016) |
Quantum-chemical simulation of unit process for the oxidation reactions of ethylene and its derivatives invoving 1O2 (1Δg) |
|
|
Breslavskaya N.N., Dolin S.P., Markov A.A., Mikhailova T.Y., Moiseeva N.I., Gekhman A.E.
|
| Vol 61, No 5 (2016) |
Quantum-chemical study of the structure and magnetic properties of mono- and binuclear Cu(II) complexes with 1,3-bis(3-(pyrimidin-2-yl)-1H-1,2,4-triazol-5-yl)propane |
|
|
Baryshnikova A.T., Minaev B.F., Baryshnikov G.V., Sun W.-.
|
| Vol 61, No 10 (2016) |
Quantum-chemical study of the structure and stability of polymolecular nitrogen, argon, and carbon monoxide clusters |
|
|
Milov A.A., Minyaev R.M., Gurashvili V.A., Minkin V.I.
|
| Vol 62, No 1 (2017) |
Radiation of multicomponent aqueous salt solutions in the millimeter-wave spectral region |
|
|
Lyashchenko A.K., Karataeva I.M.
|
| Vol 63, No 9 (2018) |
Reaction between μ-Nitridodimeric Iron(IV) Tetra-4-tert-butylphthalocyaninate and Organic Peroxides |
|
|
Simonova O.R., Zaitseva S.V., Tyurin D.V., Kudrik E.V., Koifman O.I.
|
| Vol 62, No 6 (2017) |
Reaction of the [B10H9O2C4H8]– anion with C-nucleophiles |
|
|
Matveev E.Y., Akimov S.S., Kubasov A.S., Nichugovskii A.I., Nartov A.S., Retivov V.M., Zhizhin K.Y., Kuznetsov N.T.
|
| Vol 62, No 4 (2017) |
Reaction of μ-carbido-dimeric iron(IV) octapropyltetraazaporphyrinate with dicumene peroxide and tert-butyl peroxide in benzene |
|
|
Simonova O.R., Zaitseva S.V., Tyulyaeva E.Y., Zdanovich S.A., Kudrik E.V.
|
| Vol 64, No 5 (2019) |
Reactive Extraction of Zn and Cu with Bis(2-Ethylhexyl)Phosphate: Optimization using Taguchi Orthogonal Design |
|
|
Sharma S., Agarwal G.K., Dutta N.N.
|
| Vol 61, No 1 (2016) |
Reduction specifics of rare-earth orthovanadates (REE = La, Nd, Sm, Dy, Ho, Er, Tm, Yb, and Lu) |
|
|
Lyadov A.S., Kurilkin V.V.
|
| Vol 63, No 9 (2018) |
Refined Crystal Structures of SrLnCuS3 (Ln = Er, Yb) |
|
|
Ruseikina A.V., Solov’ev L.A., Galenko E.O., Grigor’ev M.V.
|
| Vol 62, No 2 (2017) |
Regularities of change in the structural parameters of EuLnCuS3 (Ln = La–Nd, Sm, Gd, Ho) |
|
|
Ruseikina A.V., Andreev O.V.
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