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Volume 89, Nº 11 (2019)
Formation of Oligo-Nuclear Carboxylate Nickel(II) Complexes with Nitrogen-Containing Ligands. Quantum-Chemical Simulation
Panina N., Nikiforov A., Blinou D., Dubrov E., Ponyaev A., Eremin A., Belyaev A.
PDF
(Eng)
Volume 88, Nº 11 (2018)
Conformational Analysis of Tris(3-methylphenyl)phosphine and Its Chalcogenides
Ismagilova R., Kuznetsova A., Chachkov D., Malysheva S., Belogorlova N., Vereshchagina Y.
PDF
(Eng)
Volume 87, Nº 10 (2017)
Synthesis of some new heterocycles containing quinazoline moiety
Tajfirooz F., Davoodnia A., Pordel M., Ebrahimi M., Beyramabadi S.
PDF
(Eng)
Volume 86, Nº 7 (2016)
Synthesis and characterization of green-emitting phosphorescent Ir(III) complexes based on phenyl benzimidazole ligand
Lin M., Tang Q., Zeng H., Xing G., Ling Q.
PDF
(Eng)
Volume 89, Nº 10 (2019)
Boron Carbide Secrets
Konovalikhin S., Ponomarev V., Kovalev D., Guda S.
PDF
(Eng)
Volume 88, Nº 10 (2018)
Electrochemical Reduction of Trichlorobiphenyls: Mechanism and Regioselectivity
Boyarskii V., Sangaranarayanan M., Boyarskaya I., Tolstopyatova E., Chulkova T.
PDF
(Eng)
Volume 87, Nº 4 (2017)
Possibilities of tetra-, penta-, and hexacoordination in quantum-chemical simulation of mechanism of formation and stereoisomerization of bisligand azomethine complexes of Zn(II), Cd(II), and Hg(II)
Kharabayev N.
PDF
(Eng)
Volume 86, Nº 6 (2016)
The highly enantioselective bifunctional organocatalysts for the Michael addition of сyclohexanone to titroolefins
Yang M., Zhang Y., Zhao J., Yang Q., Ma Y., Cao X.
PDF
(Eng)
Volume 89, Nº 8 (2019)
N-(2,3-Dihydroxy-4-iodo-2,3-dimethylbutyl)trifluoroacetamide: Hydrogen Bonds in Crystal and Solution
Sterkhova I., Lazarev I., Shainyan B.
PDF
(Eng)
Volume 88, Nº 8 (2018)
Complexes of Imino-1,2,4-triazole Derivative with Transition Metals: Synthesis and Antibacterial Study
Sumrra S., Ramzan S., Mustafa G., Ibrahim M., Mughal E., Nadeem M., Chohan Z., Khalid M.
PDF
(Eng)
Volume 87, Nº 4 (2017)
Molecular structure of hexatomic heteronuclear (AlFe) metal clusters as determined by the DFT quantum-chemical calculation
Chachkov D., Mikhailov O.
PDF
(Eng)
Volume 86, Nº 5 (2016)
DFT analysis of molecular structure of 14-membered tetraaza-, dioxotetraaza-, and hexaazamacroheterocyclic ligands and their metal complexes
Mikhailov O., Chachkov D.
PDF
(Eng)
Volume 89, Nº 5 (2019)
Polarity and Structure of Se-Esters of Diselenophosphinic Acids: Experimental and Theoretical Conformational Analysis in Solution
Vereshchagina Y., Ismagilova R., Chachkov D., Malysheva S., Belogorlova N.
PDF
(Eng)
Volume 88, Nº 5 (2018)
The Role of Hydrogen Bond in the Mechanism of Autocatalytic Reaction between Acetic Anhydride and tert-Butyl Hydroperoxide
Varfolomeeva V.
PDF
(Eng)
Volume 87, Nº 3 (2017)
Mechanism of dehydrochlorination of 2,2-diaryl-1,1,1-trichloroethanes with nitrite and halide anions
Kazin V., Kuzhin M., Sibrikov S., Sirik A., Guzov E., Plakhtinskii V.
PDF
(Eng)
Volume 89, Nº 4 (2019)
Features of the Formation of the [(O)VIV(C2O4)(Phen)(H2O)] Complex in the Malic Acid Oxidation Process
Panina N., Nikandrov E., Laptenkova A., Selyutin A., Ruzanov D., Belyaev A.
PDF
(Eng)
Volume 88, Nº 4 (2018)
Quantum Chemical Study of Niobium and Tantalum M4O10 Oxide Clusters and M4O10– Anions
Semenov S., Bedrina M., Klemeshev V., Titov A.
PDF
(Eng)
Volume 86, Nº 12 (2016)
Theoretical study on electronic structures, spectra, and charge transporting properties of two Pt(II) complexes with triazenido ligands
Wang X., Wang L., Li J., Zhang J.
PDF
(Eng)
Volume 89, Nº 4 (2019)
Conformational Analysis of (1,1′-Phenyl-1,1′-silacyclohex-1-yl)disiloxane. DFT and Low-Temperature 13C NMR Spectroscopy Study
Shainyan B., Kleinpeter E., Suslova E.
PDF
(Eng)
Volume 88, Nº 3 (2018)
Synthesis of Pd(II), Ag(I), Pt(IV), and Hg(II) Complexes with Nifuroxazide, Their Structure, DFT Modeling, and Antimicrobial and Anticancer Activity
Nassar M., El-Shwiniy W., El-Desoky S.
PDF
(Eng)
Volume 86, Nº 12 (2016)
Quantum chemical calculation of spectroscopic and photoelectronic characteristics of [n]staffanes
Semenov S., Bedrina M., Egorov N.
PDF
(Eng)
Volume 89, Nº 4 (2019)
On the Two-Route Mechanism of the Reaction of 1-Alkenes with EtMgX Catalyzed by TaCl5
Sultanov R., Khafizov F., Ozden I., Shutov N., Sabirov D., Dzhemilev U.
PDF
(Eng)
Volume 87, Nº 11 (2017)
Simulation of metal ion coordination sphere in crystals with fluorite structure
Semenov S., Bedrina M., Titov A.
PDF
(Eng)
Volume 86, Nº 11 (2016)
Quantum-chemical study of lutetium and ytterbium bis- and tetrakis(phthalocyaninates)
Semenov S., Bedrina M., Titov A.
PDF
(Eng)
Volume 88, Nº 11 (2018)
Structure of the (O@Nb6O18)8– and (O@Ta6O18)8– Clusters: A Quantum-Chemical Study
Makarova M., Semenov S., Bedrina M., Titov A.
PDF
(Eng)
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