Журнал структурная химия

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Журнал структурной химии

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	Журнал структурной химии / РАН, СО, Ин-т неорган. химии. - Новосибирск : [б. и.], 1961 - . - Основан в 1960 г. - Журнал переводится на англ. яз. и издается под загл. "Journal of Structural Chemistry. - Выходит раз в два месяца. -ISSN 0136-7463.Включен в RSCI на платформе Web of Science на 17.12.2015	Химические науки	2016: ВАК	2017: ЦНБ

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Журнал структурной химии 2018 Т.59 N 1	Журнал структурной химии 2018 Т.59 N 1	2018	1		, , , , ,
Журнал структурной химии 2017 Т.58 N 8	Журнал структурной химии 2017 Т.58 N 8	2017	8		, , , , ,
Журнал структурной химии 2017 Т.58 N 7	Журнал структурной химии 2017 Т.58 N 7	2017	7		, , , , ,
Журнал структурной химии 2017 Т.58 N 6	Журнал структурной химии 2017 Т.58 N 6	2017	6		, , ,
Журнал структурной химии 2017 Т.58 N 5	Журнал структурной химии 2017 Т.58 N 5	2017	5		, , , ,

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Журнал

 60th Anniversary of the A.V. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences

 

  Theory of molecular structure and chemical bonding

    Bozhko Y.Yu., Subbotin O.S., Gets K.V., Zhdanov R.K., Belosludov V.R. Simulation of thermobaric conditions of the formation, composition, and structure of mixed hydrates containing xenon and nitrous oxide    891    Ryzhikov M.R., Kozlova S.G. Induced currents and 1H NMR chemical shifts in transition metal clusters (μ-H)2Fe3(μ3-Q)(CO)9 (Q = S, Se, Te)   899   Mazalov L.N., Lavrukhina S.A., Fedorenko A.D., Semyshkina G.I., Kalinkin A.V. Electronic structure and extraction properties of functionalized thia- and calix[4]arenes   904

  Study of the structure of molecules by physical methods

     Fedoseeva Yu.V., Duda T.A., Kurenya A.G., Gusel'nikov A.V., Zhuravlev K.S., Vilkov O.Y., Bulusheva L.G., Okotrub A.V. X-ray spectroscopy study of CdS nanoparticles formed on a carbon nanotube array by the Langmuir—Blodgett technique   915   Ryadun A.A., Nadolinny V.A., Antonova O.V., Rakhmanova M.I. Impurity and radiation defects in LiB3O5 crystals. The nature of centers in LiB3O5 crystals, which are responsible for coloration during the long-term operation of optical elements   924   Romanenko A.I., Yakovleva G.E., Fedorov V.E., Ledneva A.Yu., Kuznetsov V.A., Sotnikov A.V., Tsygankova A.R., Kuchumov B.M. Electron transport properties of thermoelectrics based on layered substituted transition metal dichalcogenides   932   Asanova T.I., Asanov I.P., Kim M.G., Korenev S.V. In situ X-ray spectroscopic study of the thermal decomposition of double complex salt [Pt(Nh4)4][OsCl6]   940   Galkina Yu.A., Kryuchkova N.A., Vershinin M.A., Kolesov B.A. Features of strong O—H⋯O and N—H⋯O hydrogen bond manifestation in vibrational spectra    950   Shakirova O.G., Lavrenova L.G., Kuratieva N.V., Bogomyakov A.S., Sheludyakova L.A., Mosal­kova A.P., Grigoriev Yu.V. Study of the complexes of iron(ii) dicyanamide and isothiocyanate with 2-(2-tert-butyltetrazol-5-yl)pyridine   958

  Structure of liquids and solutions

    Gabuda S.P., Kozlova S.G., Kompankov N.B., Redkina K.S. Molecular distribution at the interface in an aqueous triethylamine solution. 1Н NMR   965

  Crystal chemistry

    Podberezskaya N.V., Komarov V.Yu., Kameneva M.Yu., Kozeeva L.P., Lavrov A.N. A study of structural non-stoichiometry with respect to oxygen in RBaCo4O7+x single crystals   969   Borisov S.V., Pervukhina N.V., Magarill S.A. Crystallographic analysis of atomic structures in the study of crystallization mechanisms    979   Bakakin V.V. On a dual function of anions in crystallogenesis of compounds: structure-directing and stabilizing    986   Sukhikh A.S., Basova T.V., Gromilov S.A. The use of 2d diffractometry data for oriented samples in the choice of a unit cell   992   Fomenko Ya.S., Gushchin A.L., Nadolinny V.A., Abramov P.A., Sokolov M.N. Crystal structure and EPR spectra of (Bu4N)2[V(dmit)3]     1003    Zharkova G.I., Baidina I.A., Smolentsev A.I., Stabnikov P.A., Morozova N.B. Structure and thermal properties of a novel volatile bis-(1,1,1-trifluoro-5,5-dimethyl-3-hexene-4-imino-2-onato)platinum(II) compound   1009    Vorobyev V.A., Emelyanov V.A., Baidina I.A., Piryazev D.A. First example of the crystal structure of the nitrosoruthenium(II) trinitrato complex   1014    Bonegardt D.V., Il'in I.Yu., Sukhikh T.S., Morozova N.B. Crystal structure and properties of (1,5-cyclooctadiene)(η5-pentamethylcyclopentadienyl)iridium(I) [Ir(cod)Cp*]   1022    Ivanov А.А., Kuratieva N.V., Shestopalov М.А., Mironov Yu.V. Crystal structure of the [CsK2(μ3-DMF)2(μ-DMF)3(DMF)4][{Re6(μ3-Se)8}Br6] cluster complex   1027    Kokina T.E., Glinskaya L.A., Vasiliev E.S., Rakhmanova M.I., Makarova S.V., Piryazev D.A., Korol¢kov I.V., Tkachev A.V., Larionov S.V. Structure and photoluminescence of Zn(II) and Cd(II) complexes with chiral bis-pyridine containing fragments of natural (–)-α-pinene   1032    Kuratieva N.V., Vikulova E.S., Shushanyan A.D., Nikolaeva N.S., Dorovskikh S.I., Mikhaleva N.S., Morozova N.B. Structure of Cu(II) and Pd(II) complexes with 2-(2,2-dimethylhydrazono)penta­none-4)   1024    Vasilieva I.G. Chemical aspect of the structural disorder of CuCrS2 and CuCr1–xVxS2 solid solutions   1047 

  Supramolecular compounds and nanosized systems

    Merenkov I.S., Kasatkin I.A., Maksimovskii E.A., Alferova N.I., Kosinova M.L. Vertically aligned hexagonal boron nitride nanosheets: PECVD synthesis from triethylamine borane and structural investigation    1056    Podlipskaya T.Yu., Bulavchenko A.I. FT-IR spectroscopic study of the structure of water cavities of mixed micelles during the extraction of anionic gold and platinum complexes   1064    Poltarak P.A., Poltarak A.A., Artemkina S.B., Podlipskaya T.Y., Fedorov V.E. Preparation and pro­perties of titanium trisulfide nanoparticles   1072    Sukhikh A.S., Polyakov M.S., Klyamer D.D., Gromilov S.A., Basova T.V. A study of the structural features and sensor properties of zinc 2,9,16,23- tetra-tert-butylphthalocyanine films   1078    Koltunova T.K., Samsonenko D.G., Dybtsev D.N., Fedin V.P. Lithium carboxylate coordination polymers based on trimesic acid   1087         

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Журнал

 APPLICATION OF SYNCHROTRON RADIATION IN STRUCTURAL CHEMISTRY

   

Review. Synchrotron radiation in SB RAS 

    Kulipanov G.N., Mezentsev N.A., Pindyurin V.F. Synchrotron radiation in Novosibirsk: The first 13 years   1531   Tolochko B.P., Zolotarev K.V. Research on fast solid-state chemical reactions at the Siberian synchrotron and terahertz radiation center    1362   Arakcheev A.S., Shmakov A.N., Sharafutdinov M.R., Tolochko B.P., Popov V.A., Shoshin A.A., Vasilyev A.A., Skovorodin D.I., Polosatkin S.V., Burdakov A.V., Bataev I.A., Bataev V.A. Modeling of plasma interaction with first wall in fusion reactor — measuring residual mechanical stresses in tungsten after irradiation at GOL-3 facility    1389   Shmakov A.N., Tolochko B.P., Dementiev E.N., Sheromov M.A. The modified experimental X-ray powder diffraction station on the SR beamline No.2 of VEPP-3 storage ring    1395   Trunova V.A., Zvereva V.V. X-Ray fluorescent analysis using synchrotron radiation: Subjects of research    1401

  Study of the structure of molecules by physical methods

    Semushkina G.I., Mazalov L.N., Basova T.V. Experimental and theoretical study of X-Ray K-edges absorption spectra of carbon and nitrogen in molecule phthalocyanine h3Pc    1408   Kremennaya M.A., Soldatov M.A., Budnyk A.P., Lastovina T.A., Soldatov A.A. Theoretical and experimental studies of mononuclear copper(II) acetate bipyridine complex    1423   Korotaev E.V., Kanazhevskiy V.V., Peregudova N.N., Syrokvashin M.M., Mazalov L.N., Sokolov V.V., Filatova I.Yu., Pichugin A.Yu. Xanes-structure of X-ray absorbtion K-edges of the chromium dichalcogenides CuCr1–xMx'S2 and MCrX2    1430

  Structure of liquids and solutions

    Ancharov A.I., Zolotarev K.V. investigation of structural changes induced by solid metal—liquid metal interaction with the help of the diffraction of synchrotron radiation    1438

  Crystal chemistry

    Pankin I.A., Kravtsova A.N., Polozhentsev O.E., Soldatov A.V. Modeling of substitutional defects in the structure of Ti-bearing hibonite    1445   Seryotkin Yu.V., Likhacheva A.Yu., Rashchenko S.V. Structural evolution of Li-exchaned natrolite at pressure-induced over-hydration: An X-Ray diffraction study    1453   Seryotkin Yu.V., Dementiev S.N., Ancharov A.I. The influence of extraframework cations on the behavior of K-exchanged gonnardite at high pressure    1463   Likhacheva A.Yu., Rashchenko S.V. The formation of high-pressure modification of hydrated talc at 450 °C and 4 GPa: in situ diffraction study    1469

  Supramolecular compounds and nanosized systems

    Asanova T.I., Asanov I.P., Tur V.A., Gerasimov E.Yu., Brzhezinskaya M. PtPd-nanoparticles supported by new carbon materials    1475   Erenburg S.B., Trubina S.V., Zvereva V.V., Zinovyev V.A., Dvurechenskii A.V., Kuchinskaya P.A., Kvashnina K.A. Microstructure of multilayer heterosystems containing molecules of Ge quantum dots in Si on the stages of nucleation and growth by EXAFS spectroscopy    1485   Beltukov A.N., Chukavin A.I., Valeev R.G., Trigub A.L., El'kin I.A., Kriventsov V.V., Mezentsev N.A. Structural study of light-emitting nanocomposites based on ZnS:Cu, obtained by explosive thermal evaporation method into porous matrix of anodic Al2O3    1496   Kravtsova A.N., Pankin I.A., Soldatov M.A., Butova V.V., Bobrova I.A., Soldatov A.V. Analysis of local atomic structure of quantum dots of CdS family    1501   Pankin I.А., Kravtsova А.N., Polozhentsev O.E., Trygub A.L., Soldatov А.V. Analysis of atomic structure of colloidal quantum dots of CdSe family: X-ray spectral diagnostics and computer modelling    1508   Krasnikov D.V., Shmakov A.N., Kuznetsov V.L., Ishchenko A.V. towards the optimization of carbon nanotube properties via in situ and ex situ studies of the growth mechanism    1515   Lastovina T.A., Bugaev A.L., Kubrin S.P., Kudryavtsev E.A., Soldatov A.V. Synthesis and structural studies of magnetic nanoparticles doped with rare-earth elements    1523   Menushenkov A.P., Popov V.V., Zubavichus Ya.V., Yaroslavtsev A.A. Local peculiarities of nanocrystalline structure of complex oxides Ln2Hf2O7 (Ln = Gd, Tb, Dy)    1529   Polozhentsev O.E., Kubrin S.P., Butova V.V., Kochkina V.K., Soldatov A.V., Stashenko V.V. Structure and magnetic properties of pure and samarium doped magnetite nanoparticles    1539   Tolochko B.P., Chernyshev A.P., Bokhonov B.B., Ten K.A., Pruuel E.R., Lyakhov N.Z., Zolotarev K.V. Investigation of adamantine—diamond transformation. The radical mechanism of the formation of diamond nanoparticles under shock-wave action on adamantane    1550

  Structure of biologically active systems

    Polozhentsev O.E., Kochkina V.K., Mazalova V.L., Soldatov A.V. Molecular and electronic structures of hydrolized platinum anticancer drugs according to X-ray absorption, infrared and UV-VIS spectroscopies and DFT calculations    1558

  Brief communications

    Gavryushkin P.N., Rashenko S.V., Shatskiy A.F., Litasov K.D., Ancharov A.I. Compressibility and phase transitions of potassium carbonate at pressures below 30 Kbar    1566   Chanyshev A.D., Likhacheva A.Yu., Gavryushkin P.N., Litasov K.D. Compressibility, phase transitions and amorphization of coronene at pressures to 6 GPa    1570    

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Журнал

 To the anniversary of Academician F.A. Kuznetsov   1525    

Kuznetsov's readings-2017 4th Workshop on the problems of chemical vapor deposition February 1—3, 2017, IIC, SB RAS, Novosibirsk

    Lozanov V.V., Baklanova N.I., Piryazev D.A. Thermodynamic simulation and experimental investigation of reactive chemical vapor deposition in the Ta—C—Si—O—F system   1527   Lukashov V.V., Makarov M.S., Makarova S.N., Igumenov I.K. Molecular kinetic aspects of the vapo­rization processes of volatile coordination compounds with organic ligands   1534   Fainer N.I., Pushkarev R.V., Shestakov V.A., Gutakovsky A.K. Effect of synthesis conditions on the structure and properties of new SiCxNyMz materials for spintronics    1543   Demin V.N., Smirnova T.P., Borisov V.O., Grachev G.N., Smirnov A.L., Khomyakov M.N New laser-plasma process for obtaining solid coatings and their structural characteristics   1553   Moroz E.M. Powder X-ray diffraction capabilities in determining the structural characteristics of carbon materials    1560   Shayapov V.R., Yakovkina L.V., Bulina N.V., Chernikova N.A. Temperature dependences of the optical properties and phase composition of vanadium dioxide films obtained by chemical vapor deposition    1566   Krisyuk V.V., Urkasym kyzy S., Baidina I.A., Romanenko G.V., Korolkov I.V., Koretskaya T.P., Petrova N.I., Turgambaeva A.E. Structure and thermal properties of heterometallic complexes for chemical vapor deposition of Cu—Pd films    1573   Turgambaeva A.E., Krisyuk V.V., Baidina I.A., Korolkov I.V., Ilyin I.Yu., Urkasym kyzy S., Igumenov I.K. Volatile zirconium complexes with sterically-hindered β-diketonates: structure and chemical properties    1581   Vasilyev V.Yu. Structure, composition and electric resistivity of pulsed chemically vapor deposited thin ruthenium metal layers    1589   Mosyagina S.A., Kuratieva N.V., Zherikova K.V. Crystal structure of tris-(dipivaloylmetanato)(ethyl­enediamine)yttrium(III)   1597   Malakhov V.V. Stoichiography in studying spatial heterogeneity of the chemical composition and structure of thin films and nanostructured systems    1602   Gao E.-J., Meng B., Su J.-q., Peng T.-t., Qi Z.-z., Jia B., Feng Y.-h., Zhu M.-C. Structure, DNA bonding and biological activity of a novel Pb(II) complex of 1,1-bis(5-(pyrazin-2-yl)-1,2,4-triazol-3-yl) methane   1610   Yudanova E.S., Duda T.A., Tereshchenko O.E., Semenova O.I. Properties of methylammonium tri­iodolead(II) single crystals   1617   Smirnova T.P., Yakovkina L.V., Borisov V.O., Lebedev M.S. Phase composition of nano-dimensional film structures based on HfO2 doped with lanthanum and scandium    1623   Starinskii S.V., Sulyaeva V.S., Shukhov Yu.G., Cherkov A.G., Timoshenko N.I., Bulgakov A.V., Safonov A.I. Comparison of structures of gold nanoparticles synthesized by laser and magnetron deposition    1631

  Theory of molecular structure and chemical bonding

    Basalaev Yu.M., Kopytov A.V., Poplavnoi A.S., Ryabchikov I.S. First-principles and phenomenological modeling of a phonon spectra of BeMN2 (M = C, Si, Ge, Sn) crystals   1638   Malykhin S.E., Burylin M.Y. Quantum chemical estimation of the bonding strength between As, Cd, Pb, Sb, Se, Te atoms and the ZrC(100) surface    1648   Giricheva N.I., Kurbatova M.S., Tyunina E.Yu., Badelin V.G. Quantum chemical study of the molecular structure of sodium dodecylsulfate complexes with glycine and cysteine    1654   Liu N., Guo L., Wen C., Cao Z. Reaction mechanism of the preferential oxidation of CO reaction in a h3 stream over Cu—Ni bimetallic catalysts: a computational study    1661

  Study of the structure of molecules by physical methods

    Mazalov L.N., Fedorenko A.D., Parygina G.K., Gushchin A.L., Sokolov M.N., Dalmatova S.A. X-ray emission study of the electronic structure of binuclear niobium complexes with bridging disulfide ligands (S2)2–   1675   Pankin I.A., Kravtsova А.N., Polozhentsev O.E., Budnyk A.P., Tsaturyan A.А., Bugaev A.L., Trigub A.L., Soldatov А.V. X-ray spectral diagnostics of the structure of quantum dots based on zinc and manganese sulfides and oxides   1683

  Crystal chemistry

    Borisov S.V., Pervuhina N.V., Magarill S.A. Crystallographic analysis of the apatite and tourmaline structure types: rules of maximum symmetrization and coherent assembly   1691   Konovalikhin S.V., Ponomarev V.I., Shilov G.V., Kovalev I.D. Monoclinic boron carbide crystals    1699   Liu Y., Zhou Y.-H., Liao X.-L., Man L.-M., Wang B.-W., Zhou J.-R., Ni C.-L. Crystal structure and magnetic properties of a hybrid compound: disubstituted benzyl dimethylaminopyridinium bis(maleonitriledithiolate)cuprate(II)    1706   Sun G.-X., Zhai Z.-W., Sun Z.-H., Tan C.-X., Weng J.-Q., Liu X.-H. Crystal structure of (2-chloro-4-(phenylthio)phenyl)(3-methyl-1-phenyl-5-(phenylthio)-1H-pyrazol-4-yl)methanone    1713

  Brief communications

    Supriya S., Fernández-Martinez F. Thermal, dielectric and surface analysis of NaDP-doped glycine phosphite single crystals    1718   Vershinin M.A., Burdukov A.B., Pervukhina N.V., Kuratieva N.V., Eltsov I.V. Structure of the pro­duct of free-radical substitution of a chlorine atom by the 1,3,5-trioxane fragment in an iron(II) clathrochelate    1722   Muravieva V.K., Pomelova T.A., Tarasenko M.S., Kuratieva N.V., Naumov N.G. Crystal structure of LnTe3, where Ln = La, Ho    1726   Vikulova E.S., Zherikova K.V., Piryazev D.A., Korol¢kov I.V., Morozova N.B., Igumenov I.K. Structure of two polymorphs of bis-trifluoroacetylacetonato-(N,N,N',N'-tetramethylethyleneediamine)mag­nesium    1731   Popov L.D., Shcherbakov I.N., Vlasenko V.G., Levchenkov S.I., Lukov V.V., Aleksandrov G.G. Crystal structure and magnetic properties of a new polymer binuclear copper(II) chelate with a Schiff base based on 3-formylpyrone and 1,3-diaminepropanol-2   1735   Vasilchenko D.B., Zadesenets A.V., Baidina I.A., Piryazev D.A., Romanenko G.V. Crystal structures of cis-diiododiammine platinum and trans-diazidodiammine platinum    1739   Stabnikov P.A., Mosyagina S.A., Zherikova K.V., Korolkov I.V., Pervukhina N.V., Morozova N.B. Structures of two neodymium(III) and holmium(III) complexes with dipivaloylmethane    1743   Ullah N., Altaf M., Mansha M. Crystal structures of 1-aryl-4-(biarylmethylene)piperazine and piperidi­ne, structurally related to adoprazine    1747

jsc.niic.nsc.ru

Журнал

Theory of molecular structure and chemical bonding

    Fedorov I.A., Zhuravlev Yu.N., Kiseleva E.A. Ab initio study of the pressure effect on the structural and electronic properties of crystalline hydrogen azide 

  7

    Basalaev Yu.M. sublattice effect on the formation of the band structure of crystals with the chalcopyrite lattice: B2CN, BC2N, BCN2 

15

    Simon K.V., Tulub A.V. Peroxynitrite in the hemoglobin composition 

 21

    Guseva G.B., Antina E.V., Ksenofontov A.A., Nuraneeva E.N. A quantum chemical study of the molecular structure of zinc(II) and boron(III) complexes with monoiodo and dibromo substituted dipyrrines  

   

32 

    Zhang L., Zhang C.-Y., Song X.-H., Wang B.-Q., Zhang J. Geometries, stabilities, electronic, and magnetic properties of small aluminum cluster anions doped with cobalt: A density functional theory study 

   40

    Lu N., Wang H. A Theoretical investigation on the N—N bond cleavage of Ta(IV) hydrazidium and Ta(V) hydrazido complexes 

  53

 Li A., Guo L., An X., Liu N., Cao Z., Li W., Zheng X., Shi Y., Guo J., Xi Y. The catalytic mechanism of CO oxidation in AlAu6 clusters by density functional theory  

59

  Azizi-Toupkanloo H., Tayyari S.F. Density functional efficiency in the calculations of vibrational frequencies and molecular structure of β-diketones  

70

Study of the structure of molecules by physical methods

    Soliman U.A. Vibrational analysis, conformational stability, force constants, barriers to internal rotations, MP2=full and DFT calculations of 1,3-dimethyluracil tautomers 

  80

    Nesterov N.S., Simentsova I.I., Yudanov V.F., Martyanov O.N. The comparative study of the reduction process of Co-containing catalysts for Fischer—Tropsch process in hydrogen flow and supercritical isopropanol with FMR method 

 94

    Giricheva N.I., Girichev G.V., Petrov V.M. Structural predestination of naphthalenesulfonyl halides and naphthalenesulfonamides fragmentation by electron ionization 

   101

    Structure of liquids and solutions 

  Shevkunov S.V. The phenomenon of ousting monatomic ion out from its hydration shell in flat nanopores      

108

  Yakovenko O.M., Kazimirov V.P., Roik A.S., Golovataya N.V., Yaltanskii S.P., Sokol'skii V.E.  X-ray diffraction study of Al—Ge melts in a wide range of temperatures and concentrations      117

    Atamas N.A. Local structure of ionic liquid—monohydric alcohol solutions 

    126

  Titova A.G., Krest'yaninov M.A., Zaichikov A.M. Thermodynamic and structural characteristics of aqueous diamine solutions   

133

  Korolev V.P. Hydration numbers and bulk properties of Nh5+  Cl–, and NO3-  ions in solution at 298.15 K: Concentration dependence   

140

Crystal chemistry

    Gromilov S.A., Tyutyunnik A.P., Piryazev D.А., Plyusnin P.E., Korenev S.V. X-ray study of [Cu(Nh4)4](ReO4)2 — [Cu(Nh4)2(m-ReO4)2]n transformation 

   145

    Rodina T.A., Loseva O.V., Smolentsev A.I., Ivanov A.V. Preparation, structural organization and thermal behavior of the ion-polymeric gold(III)—zinc(II)—dibutylammonium complex, ([Nh3(C4H9)2][Au{S2CN(C4H9)2}2][ZnCl4])n 

    151

    Lin C.-J., Zhou L.-X., Niu Q.-J., Zheng Y.-Q., Zhu H.-L., Zhang B.-B. Three metal-organic polymers assembled from Cd(II)-fluconazole: syntheses, crystal structures, and characterization 

  160

    Golovnev N.N., Molokeev M.S., Vereshchagin S.N. Crystal structure and some properties of europium(III) catena-{tris(1,3-diethyl-2-thiobarbiturate)} 

    171

      

  Supramolecular and nanosized systems 

   

    Mikitaev A.K., Kozlov G.V. The physical principles of catalysis of epoxy polymers curing in carbon nanotubes presence  

    179

   Khanfekr A., Tamizifar M., Naghizadeh R. Effects of donor concentration on Structure of Nb-doped nano-sized BaTiO3 powders prepared by Microwave-hydrothermal synthesis methods     

    185

    Structure of biologically active systems

    Huang Q.-W., Wang S.-X., Liu S.-G., Su W.-Y., Li G.-B., He Y.-M. Crystal structure and antitumor activities of dinuclear cobalt(II) complex based on meso-1,2,3,4-tetra(1H-benzo[d]imidazol-2-yl)butane 

  192

    Bagheri Ghomi A. ZnO and MgO nanoparticles: Synthesis and comparative study on their properties 

    198

   

Brief communications 

   

    Yarovoi S.S., Smolentsev A.I., Ermolaev A.V., Mironov Y.V. Crystal structure of WI4 

  203

    Chumakov Yu.M., Petrenko P.A., Graur V.O., Tsapkov V.I., Gulea A.P. Crystal structure of nitrate tris(4-allylthiosemicarbazide)-chromium(III) hydrate 

   206

    Suleimen E.M., Van Hecke K. Crystal structure and absolute configuration of 28-O-acetylbetulin  

   210

    Sterkhova I.V., Smirnov V.I., Kuznezova G.A., Zel'bst E.A. Crystal and molecular structure of 1-(iodmethyl)silatrane and 1-(iodpropyl)silatrane 

  213

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Журнал

STRUCTURE OF BIOLOGICALLY ACTIVE COMPOUNDS        Theory of molecular structure and chemical bonding        Nechaeva L.S., Butyrskaya E.V., Zapryagaev S.A. Computer simulation of amino acid sorption on carbon nanotubes   233      Ten G.N., Glukhova O.E., Slepchenkov M.M., Shcherbakova N.E., Baranov V.I. Theoretical study of the mechanism of tautomeric transformations in the dimer of 7-azaindole and complex 7-azaindole with the water molecule by the methods of optical spectroscopy   242   Fedorov M.S., Giricheva N.I. Manifestation of Gauche Effect in benzenesulfonic acid hydrazide conformers   253   Khaleghi-Rad A., Beyramabadi S.A., Morsali A., Ebrahimi M., Khorasandi-chenarboo M. Tauto­merism of the antiepileptic drug Felbamate: A DFT study  261  

Study of the structure of molecules by physical methods

    Tezcan H., Tokay N. Structural and spectral properties of 3-substitutedphenyl-1,5-diphenylformazans: a quantum chemical study  269   Pacheco A.G., Salgado-Morán G., Gerli-Candia L., Ramírez-Tagle R., Glossman-Mitnik D., Misra A., De Carvalho Alcântara A.F. theoretical investigation of the molecular structure and spectroscopic properties of oxicams  278   

Structure of liquids and solutions

    Anikeenko A.V., Zelikman M.V., Kadtsyn E.D., Medvedev M.N. Simulation of glycyrrhizic acid associates with cholesterol in methanol  285   Gamov G.A., Aleksandriiskii V.V., Sharnin V.A. Structure of pyridoxine solvates in an aqueous solution from quantum chemical calculations and NMR spectroscopy   293  

  Crystal chemistry

    Mironova E.V., Krivolapov D.B., Litvinov I.A., Mustakimova L.V., Mamedov V.A. Structure of new derivatives of perhydropyrimidine-2-ones and intermolecular interactions in their crystals   300   Adizov Sh.M., Tashkhodzhaev B., Kunafiev R.Zh., Mirzaeva M.M., Yuldashev P.Kh. Crystal structure of pseudokopsinine and its salts   308   Ahmad M., Perveen Z., Bortoluzzi A.J., Hameed S., Raza Shah M., Tariq M., Ud Din G., Anwar M. Structural diversities and preliminary antimicrobial studies of 1-((E)-(pentylimino)methyl) naphthalen-2-ol and its metal complexes   314  

Supramolecular compounds and nanosized systems

    Yakalı G., Öztürk S.E., Aygün M. Strong hydrogen bonded supramolecular architecture in a crystal of the {3-[2-(1,3-benzodioxol-5-yl)-7-methoxy-1-benzofuran-5-yl] propyl} diethylamine cation with the hydrogen bonded chloride hydrate anion (halides) assembly: X-ray structure, dft calculations, hirshfeld surface analysis   321  

Review

       Kurus N.N., Dultsev F.N. Measurement of the unwinding force of a DNA double helix     332  

Brief communications

    Mitin A.V. Mutual polarization of amino acids in small tetra-heme cytochrome с 1M1P  357   Mahani M., Sheikhghomi S., Sheikhghomi H., Fasihi J. Quantitative structure activity relationship study on binding affinity of some aminothiazole derivatives with dopamine receptor in brain   361   Zha G.-J. Spin-Forbidden CO Binding to Iron—sulfur Cluster-free Hydrogenase: A Density Functional Study   366   Shmatko N.Yu., Korchagin D.V., Shilov G.V., Sanina N.A., Aldoshin S.M. Molecular and crystal structure of a cationic dinitrosyl iron complex with 1,3-dimethylthiourea   370   Slyvka Yu.I. Crystal structure of AgClO4 p-complex with 2-amino-5-allylthio-1,3,4-thiadiazole of [Ag(C5H7N3S2)(ClO4)] composition   373   Popov L.D., Borodkin S.А., Tkachev V.V., Tupolova Yu.P., Burlov A.S., Shilov G.V., Utenyshev A.N. Crystal structure of copper(ii) 2-methyl-3-{[3-methyl-5-oxo-1-phenylpyrazole-4-ylidene-methyl]ami­no}-quinazoline-4-onate   375   Mironova E.V., Krivolapov D.B., Litvinov I.A., Mustakimova L.V., Mamedov V.A. Molecular and crystal structure of 4-dichloromethylene-5-benzoyl-6-phenyl-perhydropyrimidin-2-one and its n(1)-substituted analogue   379      Popov L.D., Borodkin S.A., Tupolova Yu.P., Levchenkov S.I., Tkachev V.V., Burlov A.S., Tsaturyan A.A. Molecular and crystal structure of a novel Schiff base: 4-methyl-N-[2-[(2-methyl-4-oxo-quinazoline-3-yl)iminomethyl]phenyl]benzenesulfonamide   383   Jothi L., Anuradha G., Vasuki G., Ramesh Babu R., Ramamurthi K. Crystal structure of N-(p-methylbenzylidene)-p-bromoaniline   387  

PROCEEDINGS of the 17th Symposium on the intermolecular interaction and molecular conformations: to the 100th anniversary of A.I. Kitaigorodsky, June 23—27, 2014, Pushchino, Russia

    Grineva O.V. Analysis of aliphatic a,w-diols crystal structures. Application and progress of A.I. Kitai­gorodsky’s ideas  390   Bogdan T.V., Alekseev E.S. Role of the conservative interhelical hydrogen bond SER74—TRP158 at the cholesterol binding site in the conformational stability of the b2-adrenergic receptor: molecular dynamics simulation  402   Paston S.V., Nikolaev A.I., Ushkov P.A. Complexes of EDTA, thymidine and Cu2+ ions revealed by mass-spectrometry  410   Paston S.V., Polyanichko A.M., Shulenina O.V. Study of DNA interaction with Cu2+ and Mg2+ ions in the presence of caffeine   417   Kasyanenko N.A., Qiushi Z., Varshavskii M.S., Bakulev V.M., Demidov V.N. DNA metal complexes and metallization of a macromolecule in solution  424   Unksov I.N., Kasyanenko N.A. Conformational changes in the DNA molecule in solution caused by the binding of a light-sensitive cationic surfactant   431   Morozova E.A., Linkova N.S., Khavinson V.Kh., Soloviev A.Yu., Kasyanenko N.A. Interaction with peptide aedl DNA in vitro   438        

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