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

59

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 

108

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

    126

133

140

Crystal chemistry

    Gromilov S.A., Tyutyunnik A.P., Piryazev D.А., Plyusnin P.E., Korenev S.V. X-ray study of [Cu(NH₃)₄](ReO₄)₂ — [Cu(NH₃)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, ([NH₂(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

    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