Works matching IS 00224766 AND DT 2015 AND VI 56 AND IP 3

Results: 29

Electronic structure, charge transfer character and spectroscopic property of electroluminescent/photoluminescent [ZnL] (HL = 2-(1 H-benzo[ d]imidazol-2-yl)-4-bromophenol) studied by density functional theory.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 406, doi. 10.1134/S0022476615030026

By:

Tong, Y.;
Jin, Z.;
Lin, Y.

Publication type:

Article

Substituent effects on the absorption and vibrational spectra of some 2-hydroxy Schiff bases: DFT/TDDFT, natural bond orbital and experimental study.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 414, doi. 10.1134/S0022476615030038

By:

Elroby, S.;
Aboud, S.;
Aziz, S.;
Hilal, R.

Publication type:

Article

Raman spectra and structure of (1 − x)RbNO + xAlO systems.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 428, doi. 10.1134/S002247661503004X

By:

Gafurov, M.;
Rabadanov, K.;
Ataev, M.;
Aliev, A.;
Amirov, A.;
Kubataev, Z.

Publication type:

Article

Molecular and crystal structure of isosteviol sulphite.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 475, doi. 10.1134/S0022476615030129

By:

Dobrynin, A.;
Andreeva, O.;
Litvinov, I.

Publication type:

Article

Structural modifications of VO chelates in the organic matter of oils and bitumens from the EPR spectra.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 436, doi. 10.1134/S0022476615030051

By:

Gilinskaya, L.;
Borisova, L.;
Kostyreva, E.

Publication type:

Article

Computer simulation of the point defect formation in MgSiO-based ceramic materials.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 454, doi. 10.1134/S0022476615030075

By:

Chibisov, A.

Publication type:

Article

Crystal structure and antitumor activities of the dichloride 2,6-bis(1-phenylbenzimidazol-2-yl)pyridine copper(II) complex.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 458, doi. 10.1134/S0022476615030087

By:

Huang, Q.;
Liu, S.;
Li, G.;
Wang, S.;
Su, W.;
Liang, D.;
Mao, S.

Publication type:

Article

Crystal structure of 2-[benzyl-(7-oxo-cyclohepta-1,3,5-trienyl)-amino]- N-cyclohexylpropanamide.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 468, doi. 10.1134/S0022476615030105

By:

Ramazani, A.;
Joo, S.;
Amini, I.;
Ślepokura, K.;
Lis, T.;
Souldozi, A.

Publication type:

Article

Photoelectron spectra and electronic structure of boron dipropyl imidoylamidinates.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 446, doi. 10.1134/S0022476615030063

By:

Tikhonov, S.;
Vovna, V.

Publication type:

Article

Structural characterization of tetrakis(1,3-diazinane-2-thione)cadmium(II) sulfate.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 463, doi. 10.1134/S0022476615030099

By:

Mahmood, R.;
Hussain, S.;
Isab, A.;
Fettouhi, M.;
Fazal, A.;
Ahmad, S.

Publication type:

Article

The electronic structure of cobalt complexes Co(CO)GeCl and Co[Ge(CH)](CO)[P(CH)].

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 486, doi. 10.1134/S0022476615030142

By:

Maksimova, A.;
Vlasenko, V.;
Kozinkin, A.;
Kulikova, O.;
Podsukhina, S.;
Uvarov, V.

Publication type:

Article

Effects of the nearest-neighbor environment of copper atoms on the XANES spectra of layered chromium-copper disulfides.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 596, doi. 10.1134/S0022476615030294

By:

Korotaev, E.;
Syrokvashin, M.;
Peregudova, N.;
Kanazhevskii, V.;
Mazalov, L.;
Sokolov, V.

Publication type:

Article

Quantum chemical calculation of the structure, dipole moment, and polarizability of O-methyl methylphosphonofluoridate in the gas phase.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 399, doi. 10.1134/S0022476615030014

By:

Lebedev, A.

Publication type:

Article

Crystal structure and DFT study of N-phenyl- N-(pyridin-4-yl)acetamide.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 472, doi. 10.1134/S0022476615030117

By:

Umezono, S.;
Okuno, T.

Publication type:

Article

X-ray spectroscopy of carbon-encapsulated iron nanoparticles.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 478, doi. 10.1134/S0022476615030130

By:

Galakhov, V.;
Shamin, S.;
Uimin, M.;
Ermakov, A.;
Bukhvalov, D.

Publication type:

Article

The electronic structure of defect chalcopyrite CdGaSe as determined from first principles calculations and X-ray spectroscopy studies.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 492, doi. 10.1134/S0022476615030154

By:

Lavrentyev, A.;
Gabrelian, B.;
Shkumat, P.;
Nikiforov, I.;
Parasyuk, O.;
Khizhun, O.

Publication type:

Article

X-ray spectra and charge states of cations in nanostructured manganites LaCaMnO and NdSrMnO.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 497, doi. 10.1134/S0022476615030166

By:

Mesilov, V.;
Galakhov, V.;
Shamin, S.;
Gizhevskii, B.;
Naumov, S.

Publication type:

Article

Local atomic structure of copper complexes with 2-tosylaminobenzylidene-2′-amino-5′-chlorothiophenol.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 504, doi. 10.1134/S0022476615030178

By:

Burlov, A.;
Vlasenko, V.;
Mashchenko, S.;
Garnovskii, D.;
Uraev, A.;
Levchenkov, S.;
Zubavichus, Ya.;
Lifintseva, T.

Publication type:

Article

Structure of the ground and excited states in the CoFeSi Heusler alloy according to the resonant photoemission data.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 511, doi. 10.1134/S002247661503018X

By:

Grebennikov, V.;
Buling, A.;
Neumann, M.;
Marchenkov, V.;
Kuznetsova, T.

Publication type:

Article

Atomic and electronic structure of CdS-based quantum dots.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 517, doi. 10.1134/S0022476615030191

By:

Kravtsova, A.;
Soldatov, M.;
Suchkova, S.;
Butova, V.;
Bugaev, A.;
Fain, M.;
Soldatov, A.

Publication type:

Article

Simulation of X-ray emission and photoelectron spectra of HPc using the density functional method.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 523, doi. 10.1134/S0022476615030208

By:

Semushkina, G.;
Mazalov, L.;
Lavrukhina, S.;
Basova, T.;
Gulyaev, R.

Publication type:

Article

An XPS study of products formed on pyrite and pyrrhotine by reacting with palladium(II) chloride solutions.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 531, doi. 10.1134/S002247661503021X

By:

Romanchenko, A.;
Mikhlin, Yu.

Publication type:

Article

Ultraviolet and X-ray photoelectron spectra and the electronic structure of Eu(III) and Lu(III) β-diketonate complexes.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 538, doi. 10.1134/S0022476615030221

By:

Shurygin, A.;
Korochentsev, V.;
Os'mushko, I.;
Cherednichenko, A.;
Yashin, V.;
Vovna, V.

Publication type:

Article

Electronic structure of nitrogen-containing intracomplex nickel(II) compounds based on ultraviolet photoelectron spectra and density functional theory.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 548, doi. 10.1134/S0022476615030233

By:

Komissarov, A.;
Korochentsev, V.;
Vovna, V.

Publication type:

Article

An XPS and TPD study of gold oxide films obtained by exposure to RF-activated oxygen.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 557, doi. 10.1134/S0022476615030245

By:

Stadnichenko, A.;
Koshcheev, S.;
Boronin, A.

Publication type:

Article

Films of the PdCeO solid solution as a model object for the XPS study of the surface chemistry of Pd/CeO catalysts.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 566, doi. 10.1134/S0022476615030257

By:

Gulyaev, R.;
Osadchii, D.;
Koscheev, S.;
Boronin, A.

Publication type:

Article

Calculation of the pure surface composition of the binary alloy according to XPS data obtained after the alloy surface contact with air.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 576, doi. 10.1134/S0022476615030269

By:

Kalazhokov, Z.;
Karamurzov, B.;
Kochur, A.;
Misakova, L.;
Kardanova, Z.;
Kalazhokov, Kh.

Publication type:

Article

Synthesis and structure of tetrasodium nitrilotrismethylenephosphonato zincate tridecahydrate Na[ZnN(CHPO)]·13HO, a corrosion inhibitor.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 582, doi. 10.1134/S0022476615030270

By:

Chausov, F.;
Naimushina, E.;
Shabanova, I.;
Somov, N.

Publication type:

Article

Mechanism of conjugate electron transitions on the surface of a solid.

Published in:

Journal of Structural Chemistry, 2015, v. 56, n. 3, p. 589, doi. 10.1134/S0022476615030282

By:

Cholach, A.;
Tapilin, V.

Publication type:

Article