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Vol 89, No 4 (2019)

Features of the Formation of the [(O)V^IV(C₂O₄)(Phen)(H₂O)] Complex in the Malic Acid Oxidation Process

Panina N.S., Nikandrov E.M., Laptenkova A.V., Selyutin A.A., Ruzanov D.O., Belyaev A.N.

(Eng)

Vol 88, No 4 (2018)

Quantum Chemical Study of Niobium and Tantalum M₄O₁₀ Oxide Clusters and M₄O₁₀^– Anions

Semenov S.G., Bedrina M.E., Klemeshev V.A., Titov A.V.

(Eng)

Vol 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.

(Eng)

Vol 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.A., Kleinpeter E., Suslova E.N.

(Eng)

Vol 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.Y., El-Shwiniy W.H., El-Desoky S.I.

(Eng)

Vol 86, No 12 (2016)

Quantum chemical calculation of spectroscopic and photoelectronic characteristics of [n]staffanes

Semenov S.G., Bedrina M.E., Egorov N.V.

(Eng)

Vol 89, No 4 (2019)

On the Two-Route Mechanism of the Reaction of 1-Alkenes with EtMgX Catalyzed by TaCl₅

Sultanov R.M., Khafizov F.S., Ozden I.V., Shutov N.V., Sabirov D.S., Dzhemilev U.M.

(Eng)

Vol 87, No 11 (2017)

Simulation of metal ion coordination sphere in crystals with fluorite structure

Semenov S.G., Bedrina M.E., Titov A.V.

(Eng)

Vol 86, No 11 (2016)

Quantum-chemical study of lutetium and ytterbium bis- and tetrakis(phthalocyaninates)

Semenov S.G., Bedrina M.E., Titov A.V.

(Eng)

Vol 88, No 11 (2018)

Structure of the (O@Nb₆O₁₈)^8– and (O@Ta₆O₁₈)^8– Clusters: A Quantum-Chemical Study

Makarova M.V., Semenov S.G., Bedrina M.E., Titov A.V.

(Eng)

Vol 87, No 11 (2017)

Synthesis, X-ray analysis, and quantum-chemical DFT study of features in formation of a binuclear phenanthroline complex with a V^IV–O–V^V core

Nikandrov E.M., Ruzanov D.O., Panina N.S., Belyaev A.N.

(Eng)

Vol 86, No 9 (2016)

Models of molecular structure of heteronuclear clusters Al₂Fe₃, Al₂Co₃, and Al₂Ni₃ according to the data of quantum-chemical density functional simulation

Mikhailov O.V., Chachkov D.V.

(Eng)

Vol 89, No 11 (2019)

Formation of Oligo-Nuclear Carboxylate Nickel(II) Complexes with Nitrogen-Containing Ligands. Quantum-Chemical Simulation

Panina N.S., Nikiforov A.A., Blinou D.O., Dubrov E.N., Ponyaev A.I., Eremin A.V., Belyaev A.N.

(Eng)

Vol 88, No 11 (2018)

Conformational Analysis of Tris(3-methylphenyl)phosphine and Its Chalcogenides

Ismagilova R.R., Kuznetsova A.A., Chachkov D.V., Malysheva S.F., Belogorlova N.A., Vereshchagina Y.A.

(Eng)

Vol 87, No 10 (2017)

Synthesis of some new heterocycles containing quinazoline moiety

Tajfirooz F., Davoodnia A., Pordel M., Ebrahimi M., Beyramabadi S.A.

(Eng)

Vol 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.

(Eng)

Vol 89, No 10 (2019)

Boron Carbide Secrets

Konovalikhin S.V., Ponomarev V.I., Kovalev D.Y., Guda S.A.

(Eng)

Vol 88, No 10 (2018)

Electrochemical Reduction of Trichlorobiphenyls: Mechanism and Regioselectivity

Boyarskii V.P., Sangaranarayanan M.V., Boyarskaya I.A., Tolstopyatova E.G., Chulkova T.G.

(Eng)

Vol 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.N.

(Eng)

Vol 86, No 6 (2016)

The highly enantioselective bifunctional organocatalysts for the Michael addition of сyclohexanone to titroolefins

Yang M., Zhang Y.C., Zhao J.Q., Yang Q.S., Ma Y., Cao X.H.

(Eng)

Vol 89, No 8 (2019)

N-(2,3-Dihydroxy-4-iodo-2,3-dimethylbutyl)trifluoroacetamide: Hydrogen Bonds in Crystal and Solution

Sterkhova I.V., Lazarev I.M., Shainyan B.A.

(Eng)

Vol 88, No 8 (2018)

Complexes of Imino-1,2,4-triazole Derivative with Transition Metals: Synthesis and Antibacterial Study

Sumrra S.H., Ramzan S., Mustafa G., Ibrahim M., Mughal E.U., Nadeem M.A., Chohan Z.H., Khalid M.

(Eng)

Vol 87, No 4 (2017)

Molecular structure of hexatomic heteronuclear (AlFe) metal clusters as determined by the DFT quantum-chemical calculation

Chachkov D.V., Mikhailov O.V.

(Eng)

Vol 86, No 5 (2016)

DFT analysis of molecular structure of 14-membered tetraaza-, dioxotetraaza-, and hexaazamacroheterocyclic ligands and their metal complexes

Mikhailov O.V., Chachkov D.V.

(Eng)

Vol 89, No 5 (2019)

Polarity and Structure of Se-Esters of Diselenophosphinic Acids: Experimental and Theoretical Conformational Analysis in Solution

Vereshchagina Y.A., Ismagilova R.R., Chachkov D.V., Malysheva S.F., Belogorlova N.A.

(Eng)

1 - 25 of 27 Items 1 2 > >>

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