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

   • I. A. Fedorov
   • Yu. N. Zhuravlev
   • E. A. Kiseleva

   OriginalPaper 05 April 2016 Pages: 1 - 7

2. Sublattice effect on the formation of the band structure of crystals with the chalcopyrite lattice: B₂CN, BC₂N, BCN₂

   • Yu. M. Basalaev

   OriginalPaper 05 April 2016 Pages: 8 - 13

3. Peroxynitrite in the hemoglobin composition

   • K. V. Simon
   • A. V. Tulub

   OriginalPaper 05 April 2016 Pages: 14 - 24

4. A quantum chemical study of the molecular structure of zinc(II) and boron(II) complexes with monoiodo and dibromo substituted dipyrrines

   • G. B. Guseva
   • E. V. Antina
   • E. N. Nuraneeva

   OriginalPaper 05 April 2016 Pages: 25 - 32

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

   • L. Zhang
   • C.-Y. Zhang
   • J. Zhang

   OriginalPaper 05 April 2016 Pages: 33 - 46

6. A theoretical investigation on the N–N bond cleavage in Ta(IV) hydrazidium and Ta(V) hydrazido complexes

   • N. Lu
   • H. Wang

   OriginalPaper 05 April 2016 Pages: 47 - 53

7. The catalytic mechanism of CO oxidation in AlAu₆ clusters determined by density functional theory

   • A. Li
   • L. Guo
   • Y. Xi

   OriginalPaper 05 April 2016 Pages: 54 - 64

8. Density functional efficiency in the calculations of vibrational frequencies and molecular structures of β-diketones

   • H. Azizi-Toupkanloo
   • S. F. Tayyari

   OriginalPaper 05 April 2016 Pages: 65 - 75

9. Vibrational analysis, conformational stability, force constants, internal rotation barriers, MP2=full and DFT calculations of 1,3-dimethyluracil tautomers

   • U. A. Soliman

   OriginalPaper 05 April 2016 Pages: 76 - 89

10. A comparative FMR study of the reduction of Co-containing catalysts for the Fischer–Tropsch process in hydrogen and supercritical isopropanol

    • N. S. Nesterov
    • I. I. Simentsova
    • O. N. Martyanov

    OriginalPaper 05 April 2016 Pages: 90 - 96

11. Structural dependence of the fragmentation of naphthalenesulfonyl halide and naphthalenesulfonamide molecules under electron ionization

    • N. I. Giricheva
    • G. V. Girichev
    • V. M. Petrov

    OriginalPaper 05 April 2016 Pages: 97 - 103

12. Phenomenon of the ousting of a monatomic ion from its hydration shell in flat nanopores

    • S. V. Shevkunov

    OriginalPaper 05 April 2016 Pages: 104 - 111

13. X-ray diffraction study of Al–Ge melts in a wide range of temperatures and concentrations

    • O. M. Yakovenko
    • V. P. Kazimirov
    • V. E. Sokol’skii

    OriginalPaper 05 April 2016 Pages: 112 - 120

14. Local structure of ionic liquid–monohydric alcohol solutions

    • N. A. Atamas

    OriginalPaper 05 April 2016 Pages: 121 - 127

15. Thermodynamic and structural characteristics of aqueous diamine solutions

    • A. G. Titova
    • M. A. Krest’yaninov
    • A. M. Zaichikov

    OriginalPaper 05 April 2016 Pages: 128 - 134

16. Hydration numbers and bulk properties of NH ₄ ⁺ , Cl^–, and NO ₃ ^- ions in solution at 298.15 K: Concentration dependence

    • V. P. Korolev

    OriginalPaper 05 April 2016 Pages: 135 - 139

17. X-ray study of [Cu(NH₃)₄](ReO₄)₂-[Cu(NH₃)₂(μ-ReO₄)₂] _n transformation

    • S. A. Gromilov
    • A. P. Tyutyunnik
    • S. V. Korenev

    OriginalPaper 05 April 2016 Pages: 140 - 145

18. 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

    • T. A. Rodina
    • O. V. Loseva
    • A. V. Ivanov

    OriginalPaper 05 April 2016 Pages: 146 - 154

19. Three metal-organic polymers assembled from Cd(II)–fluconazole: Syntheses, crystal structures, and characterization

    • C.-J. Lin
    • L.-X. Zhou
    • B.-B. Zhang

    OriginalPaper 05 April 2016 Pages: 155 - 166

20. Crystal structure and some properties of europium(III) Catena-{tris(1,3-diethyl-2-thiobarbiturate)}

    • N. N. Golovnev
    • M. S. Molokeev
    • S. N. Vereshchagin

    OriginalPaper 05 April 2016 Pages: 167 - 174

21. Physical principles of catalysis of the curing of epoxy polymers in the presence of carbon nanotubes

    • A. K. Mikitaev
    • G. V. Kozlov

    OriginalPaper 05 April 2016 Pages: 175 - 180

22. Effects of a donor concentration on the structure of Nb-doped nano-sized BaTiO₃ powders prepared by microwave-hydrothermal synthesis methods

    • A. Khanfekr
    • M. Tamizifar
    • R. Naghizadeh

    OriginalPaper 05 April 2016 Pages: 181 - 187

23. Crystal structure and antitumor activities of a dinuclear cobalt(II) complex based on meso-1,2,3,4-tetra(1H-benzo[d]imidazol-2-yl)butane

    • Q.-W. Huang
    • S.-X. Wang
    • Y.-M. He

    OriginalPaper 05 April 2016 Pages: 188 - 193

24. ZnO and MgO nanoparticles: Synthesis and comparative study on their properties

    • A. Bagheri Ghomi

    OriginalPaper 05 April 2016 Pages: 194 - 198

25. Crystal structure of WI₄

    • S. S. Yarovoi
    • A. I. Smolentsev
    • Yu. V. Mironov

    Brief Communications 05 April 2016 Pages: 199 - 201

26. Crystal structure of nitrate tris(4-allylthiosemicarbazide)-chromium(III) hydrate

    • Yu. M. Chumakov
    • P. A. Petrenko
    • A. P. Gulea

    Brief Communications 05 April 2016 Pages: 202 - 205

27. Crystal structure and absolute configuration of 28-O-acetylbetulin

    • E. M. Suleimen
    • K. Van Hecke

    Brief Communications 05 April 2016 Pages: 206 - 208

28. Crystal and molecular structure of 1-(iodmethyl)- and 1-(iodpropyl)silatranes

    • I. V. Sterkhova
    • V. I. Smirnov
    • E. A. Zel’bst

    Brief Communications 05 April 2016 Pages: 209 - 212