| 期 |
标题 |
文件 |
| 卷 64, 编号 14 (2019) |
QTAIM Analysis of Mono-Hydroxy Derivatives of closo-Borate Anions [BnHn– 1OH]2– (n = 6, 10, 12) |
|
|
Klyukin I., Novikov A., Zhdanov A., Zhizhin K., Kuznetsov N.
|
| 卷 63, 编号 11 (2018) |
Quantitative Description of Properties of Nickel-Containing Nanocomposites Affecting Their Magnetic Characteristics |
|
|
Semenov S., Musatova V., Drobot D., Dzhardimalieva G.
|
| 卷 64, 编号 14 (2019) |
Quantum Chemical Relationship between Generalized Anomeric Effect and Thermodynamic Parameters in M2Cl2 (M = O, S, Se) |
|
|
Mokhayeri Z., Fazaeli R.
|
| 卷 62, 编号 12 (2017) |
Quantum-chemical analysis of the thermodynamic isotope effect in quasi-one-dimensional H-bonded Pb(H/D)PO4 ferroelectrics |
|
|
Mikhailova T., Breslavskaya N., Dolin S.
|
| 卷 64, 编号 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., Mikhailov O.
|
| 卷 63, 编号 7 (2018) |
Quantum-Chemical Modeling of B32 Complexes with Nitrogen: Endo or Exo? |
|
|
Starikov A., Minyaev R., Starikova A., Minkin V.
|
| 卷 61, 编号 6 (2016) |
Quantum-chemical modeling of dehydrogenation of a sodium borohydride molecule in water |
|
|
Zyubin A., Zyubina T., Kravchenko O., Solov’ev M., Dobrovol’skii Y.
|
| 卷 61, 编号 11 (2016) |
Quantum-chemical modeling of lithiation of a silicon–silicon carbide composite |
|
|
Zyubin A., Zyubina T., Dobrovol’skii Y., Volokhov V.
|
| 卷 61, 编号 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., Zyubin A., Dobrovol’skii Y., Volokhov V.
|
| 卷 62, 编号 9 (2017) |
Quantum-chemical modeling of lithium removal from lithium–silicon–silicon carbide composite |
|
|
Zyubin A., Zyubina T., Dobrovol’skii Y., Volokhov V.
|
| 卷 61, 编号 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., Chachkov D.
|
| 卷 63, 编号 1 (2018) |
Quantum-Chemical Modeling of the Surface Contact of Superionic Conductor Li10GeP2S12 with Different Materials |
|
|
Zyubin A., Zyubina T., Dobrovol’skii Y., Volokhov V.
|
| 卷 62, 编号 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.
|
| 卷 61, 编号 12 (2016) |
Quantum-chemical simulation of the elementary step of the oxidation reactions of styrene and its derivatives involving 1О2 (1Δg) |
|
|
Breslavskaya N., Dolin S., Markov A., Mikhailova T., Moiseeva N., Gekhman A.
|
| 卷 61, 编号 10 (2016) |
Quantum-chemical simulation of unit process for the oxidation reactions of ethylene and its derivatives invoving 1O2 (1Δg) |
|
|
Breslavskaya N., Dolin S., Markov A., Mikhailova T., Moiseeva N., Gekhman A.
|
| 卷 61, 编号 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., Minaev B., Baryshnikov G., Sun W.
|
| 卷 61, 编号 10 (2016) |
Quantum-chemical study of the structure and stability of polymolecular nitrogen, argon, and carbon monoxide clusters |
|
|
Milov A., Minyaev R., Gurashvili V., Minkin V.
|
| 卷 62, 编号 1 (2017) |
Radiation of multicomponent aqueous salt solutions in the millimeter-wave spectral region |
|
|
Lyashchenko A., Karataeva I.
|
| 卷 63, 编号 9 (2018) |
Reaction between μ-Nitridodimeric Iron(IV) Tetra-4-tert-butylphthalocyaninate and Organic Peroxides |
|
|
Simonova O., Zaitseva S., Tyurin D., Kudrik E., Koifman O.
|
| 卷 62, 编号 6 (2017) |
Reaction of the [B10H9O2C4H8]– anion with C-nucleophiles |
|
|
Matveev E., Akimov S., Kubasov A., Nichugovskii A., Nartov A., Retivov V., Zhizhin K., Kuznetsov N.
|
| 卷 62, 编号 4 (2017) |
Reaction of μ-carbido-dimeric iron(IV) octapropyltetraazaporphyrinate with dicumene peroxide and tert-butyl peroxide in benzene |
|
|
Simonova O., Zaitseva S., Tyulyaeva E., Zdanovich S., Kudrik E.
|
| 卷 64, 编号 5 (2019) |
Reactive Extraction of Zn and Cu with Bis(2-Ethylhexyl)Phosphate: Optimization using Taguchi Orthogonal Design |
|
|
Sharma S., Agarwal G., Dutta N.
|
| 卷 61, 编号 1 (2016) |
Reduction specifics of rare-earth orthovanadates (REE = La, Nd, Sm, Dy, Ho, Er, Tm, Yb, and Lu) |
|
|
Lyadov A., Kurilkin V.
|
| 卷 63, 编号 9 (2018) |
Refined Crystal Structures of SrLnCuS3 (Ln = Er, Yb) |
|
|
Ruseikina A., Solov’ev L., Galenko E., Grigor’ev M.
|
| 卷 62, 编号 2 (2017) |
Regularities of change in the structural parameters of EuLnCuS3 (Ln = La–Nd, Sm, Gd, Ho) |
|
|
Ruseikina A., Andreev O.
|
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