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Vol 57, No 3 (2016)

Molecular and crystal structure of 1-(2-hydroxyethyl)-1,2-dihydro-3,4,6-trimethyl-2-oxopyrimidinium iodide: the N-alkylation product of xymedone

Litvinov I.A., Voronina Y.K., Galyametdinova I.V., Shashin M.S., Semenov V.E., Reznik V.S.

(Eng)

Vol 58, No 7 (2017)

Study of a supramolecular structure of continental type petroleum asphaltenes

Shutkova S.A., Dolomatov M.Y.

(Eng)

Vol 60, No 9 (2019)

Crystal, Molecular, Electronic Structures and Spectroscopic Characteristics of N-Hydroxyamide of 3-[3,3-Dimethyl-1,2,3,4-Tetrahydroisoquinolin-1-Iden]-2-Oxopropanoic Acid

Davydov V.V., Polyakova E.I., Ryabov M.A., Mikhailovskii A.G., Dorovatovsky P.V., Zubavichus Y.V., Khrustalev V.N.

(Eng)

Vol 60, No 12 (2019)

Crystal and Electronic Structures of Alluaudite-Type Double Molybdates of Scandium and Indium

Suetin D.V., Baklanova Y.V., Medvedeva N.I., Savina A.A., Khaykina E.G., Pletneva E.D., Denisova T.A.

(Eng)

Vol 60, No 6 (2019)

Synthesis, Characterization, Crystal Structure, and DFT Study of 4-Bromo-2-(4,6-Dichloro-Phenylimino)-Phenol

Soltani A., Mashkoor R., Khalaji A.D., Raz S.G., Ghoran S.H., Dusek M., Fejfarova K., Kanani Y.

(Eng)

Vol 59, No 2 (2018)

Structure and Thermodynamic Characteristics of Impurity Centers in Lithium-Doped Cadmium Oxide: an Ab Initio Paw-Study

Zhukov V.P., Shein I.R.

(Eng)

Vol 58, No 6 (2017)

Experimental and theoretical study of the electronic energy structure of phosphorus containing sulfides InPS₄, Tl₃PS₄ and Sn₂P₂S₆

Lavrentiev A.A., Gabrel′yan B.V., Vu V.T., Nikiforov I.Y., Nikiforova V.S., Khizhun O.Y.

(Eng)

Vol 58, No 4 (2017)

A DFT study on the structural and electronic properties of small toxic gases on B- and Al- doped C₂₀ fullerene

Molani F., Askari M.

(Eng)

Vol 57, No 5 (2016)

Synthesis and structure modeling of ZnS based quantum dots

Kravtsova A.N., Pankin I.A., Budnyk A.P., Butova V.V., Lastovina T.A., Soldatov A.V.

(Eng)

Vol 57, No 2 (2016)

Electronic structure and quadrupole interactions in triple molybdates Li₂M₃Al(MoO₄)₄, M = Cs, Rb

Seleznev V.N., Medvedeva N.I., Denisova T.A., Nevmyvako R.D., Buzlukov A.L., Kadyrova Y.M., Solodovnikov S.F.

(Eng)

Vol 60, No 2 (2019)

Unravelling the Competence of Leucocyanidin in Free Radical Scavenging: A Theoretical Approach Based on Electronic Structure Calculations

Augustine C.

(Eng)

Vol 58, No 6 (2017)

Electronic structure of adducts of Nd(III) carboxylate complexes determined by DFT and XPS methods

Korochentsev V.V., Elovskii A.V., Vovna V.I., Os’mushko I.S., Mirochnik A.G., Kalinovskaya I.V.

(Eng)

Vol 58, No 4 (2017)

Ab initio study of the structure and electronic properties of magnesium and calcium nitrates and their crystal hydrates

Zhuravlev Y.N., Korabel`nikov D.V.

(Eng)

Vol 57, No 5 (2016)

Structure and some physicochemical properties of carbon and silicon phases with a LA3 diamond-like lattice

Belenkov E.A., Greshnyakov V.A.

(Eng)

Vol 57, No 2 (2016)

Relativistic effects in oxides and halides of transition and post-transition metals

Kozlova S.G., Ryzhikov M.R., Slepkov V.A.

(Eng)

Vol 60, No 12 (2019)

Electronic Structure of Eu(III) Adducts with OP(C₆H₅)₃ and OP[NMe₂]₃

Shurygin A.V., Vovna V.I., Korochentsev V.V., Mirochnik A.G., Sergienko V.I.

(Eng)

Vol 60, No 2 (2019)

Using Doping to Modify the Properties of SrFeO₃ and SrCoO₃ Oxides: DFT Calculations of the Electronic Structure

Gainutdinov I.I., Nemudry A.P., Zilberberg I.L.

(Eng)

Vol 59, No 1 (2018)

The Atomic Structure of Cu(II) Acetate-Bipyridine Under Thermal Decomposition: An X-Ray Spectroscopy Study

Kremennaya M.A., Budnyk A.P., Soldatov M.A., Lastovina T.A., Soldatov A.V.

(Eng)

Vol 58, No 6 (2017)

Electronic structure of adducts of Eu(III) TRIS-β—diketonates with phenanthroline: photoelectron and theoretical studies

Shurygin A.V., Korochentsev V.V., Cherednichenko A.I., Vovna V.I.

(Eng)

Vol 57, No 4 (2016)

X-ray photoelectron study of the effect of the composition of the initial gas phase on changes in the electronic structure of hexagonal boron nitride films obtained by PECVD from borazine

Il’inchik E.A., Merenkov I.S.

(Eng)

Vol 57, No 1 (2016)

Geometries, stabilities, electronic and magnetic properties of small aluminum cluster anions doped with cobalt: A density functional theory study

Zhang L., Zhang C., Song X., Wang B., Zhang J.

(Eng)

Vol 59, No 7 (2018)

An Ab Initio Study of Electronic Structure of Lithium Metaborate

Basalaev Y.M., Boldyreva E.S., Duginova E.B.

(Eng)

Vol 58, No 6 (2017)

Electronic structure of adducts of Ni(II) and Co(II) bis-acetylacetonates with phenanthroline

Komissarov A.A., Korochentsev V.V., Vovna V.I.

(Eng)

Vol 57, No 1 (2016)

Ab initio study of the pressure effect on the structural and electronic properties of crystalline hydrogen azide

Fedorov I.A., Zhuravlev Y.N., Kiseleva E.A.

(Eng)

Vol 60, No 11 (2019)

The Nature of Halogen Dependence of ¹⁰³Rh NMR Chemical Shift in Complex Anions cis-[X1X2Rh(CO)₂]⁻ (X1, X2 = Cl, Br, I)

Mirzaeva I.V., Kozlova S.G.

(Eng)

Vol 59, No 6 (2018)

A First-Principles Calculation of Electronic Properties of LiNH₂ and NaNH₂

Kaizer E.B., Kravchenko N.G., Poplavnoi A.S.

(Eng)

Vol 59, No 6 (2018)

Influence of Local Atomic and Electronic Structures of Magnetite on Subtle Effects in HERFD-XANES Spectra

Podkovyrina Y.S., Kremennaya M.A., Soldatov M.A., Soldatov A.V.

(Eng)

Vol 58, No 6 (2017)

Electronic structure and excited states of molecular crystals of antimony and tellurium hexahalogenides

Dotsenko A.A., Shcheka O.L., Vovna V.I.

(Eng)

Vol 57, No 6 (2016)

First-principles study of the pressure effects on the structural and electronic properties of crystalline organic azide C₁₀H₈N₆O₄

Fedorov I.A., Zhuravlev Y.N.

(Eng)

Vol 60, No 10 (2019)

Substituent Effect on the Structure and Photophysical Properties of Phenylamino- and Pyridylamino-2,1,3-Benzothiadiazoles

Sukhikh T.S., Khisamov R.M., Bashirov D.A., Kovtunova L.M., Kuratieva N.V., Konchenko S.N.

(Eng)

Vol 59, No 5 (2018)

A Density Functional Investigation of Geometrical and Electronic Structures, Charge Transfer, and Photoluminescent Property of a Zinc(II) Complex with 5-Amino-2-(1H-Benzoimidazol-2-yl)-Phenol

Tong Y., Lin Y., Liu H.

(Eng)

Vol 58, No 6 (2017)

Photoelectron spectra and electronic structure of nitrogen-containing chelate boron complexes

Tikhonov S.A., Lvov I.B., Vovna V.I.

(Eng)

Vol 57, No 7 (2016)

Molecular and electronic structure of hydrolized platinum anticancer drugs as revealed by X-ray absorption, IR, UV-Vis spectroscopies and DFT calculations

Polozhentsev O.E., Kochkina V.K., Mazalova V.L., Soldatov A.V.

(Eng)

Vol 57, No 3 (2016)

Structure and electronic properties of 3,3′-diamino-4,4′-azo-1,2,4-triazole nitrate and perchlorate

Korabel’nikov D.V., Zhuravlev Y.N.

(Eng)

Vol 58, No 6 (2017)

Photoelectron spectra and electronic structure of aza-boron-dipyridomethene derivatives

Tikhonov S.A., Vovna V.I., Borisenko A.V.

(Eng)

Vol 57, No 7 (2016)

Theoretical and experimental study of mononuclear Cu(II) acetate-bipyridine complex

Kremennaya M.A., Soldatov M.A., Budnyk A.P., Lastovina T.A., Soldatov A.V.

(Eng)

Vol 57, No 2 (2016)

Action of the atomic and electronic structure of pheromone molecules on the effectiveness of communication in xylophagous insects

Artyushenko P.V., Tomilin F.N., Kuzubov A.A., Ovchinnikov S.G., Tsikalova P.E., Ovchinnikova T.M., Soukhovolsky V.G.

(Eng)

Vol 60, No 6 (2019)

An X-ray Spectral Study of the Electronic Structure of Non-Innocent Mono- and Binuclear Platinum Complexes with N-Phenyl-o-Benzosemiquinonediimine

Ivanova T.M., Sidorov A.A., Mazalov L.N., Fedorenko A.D., Kiskin M.A., Savilov S.V., Lunin V.V., Novotortsev V.M., Eremenko I.L., Kalinkin A.V., Fedoseeva Y.V., Okotrub A.V.

(Eng)

Vol 59, No 4 (2018)

Optimization of Parameters of Graphene Synthesis on Copper Foil at Low Methan Pressure

Arkhipov V.E., Gusel′nikov A.V., Popov K.M., Gevko P.N., Fedoseeva Y.V., Smirnov D.A., Bulusheva L.G., Okotrub A.V.

(Eng)

Vol 58, No 5 (2017)

An X-ray spectroscopy study of CdS nanoparticles formed by the Langmuir–Blodgett technique on the surface of carbon nanotube arrays

Fedoseeva Y.V., Duda T.A., Kurenya A.G., Gusel’nikov A.V., Zhuravlev K.S., Vilkov O.Y., Bulusheva L.G., Okotrub A.V.

(Eng)

Vol 57, No 8 (2016)

Quantum-chemical study of quasi-one-dimensional vanadium and niobium sulfides with Peierls distortion

Kozlova M.N., Enyashin A.N., Fedorov V.E.

(Eng)

Vol 57, No 2 (2016)

Electronic structure and formation energies of nonstoichiometric dichalcogenides M_xX_2–y (М = Nb, Mo, W; X = Se, Te)

Shein I.R., Bannikov V.V., Enyashin A.N.

(Eng)

1 - 42 of 42 Items

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