1. An atomistic level description of guest molecule effect on the formation of hydrate crystal nuclei by ab initio calculations

   • R. V. Belosludov
   • H. Mizuseki
   • V. R. Belosludov

   OriginalPaper 29 September 2012 Pages: 619 - 626

2. Theoretical investigation of ozone hydrate formation conditions

   • O. S. Subbotin
   • T. P. Adamova
   • V. R. Belosludov

   OriginalPaper 29 September 2012 Pages: 627 - 633

3. Electronic structure, Fermi surface, and chemical bonding in new layered oxyselenide: HgCuSeO

   • V. V. Bannikov
   • I. R. Shein
   • A. L. Ivanovskii

   OriginalPaper 29 September 2012 Pages: 634 - 638

4. Structure and electronic properties of the surface of alkali metal peroxides

   • D. V. Korabel’nikov
   • Yu. N. Zhuravlev
   • M. V. Aleinikova

   OriginalPaper 29 September 2012 Pages: 639 - 644

5. Hamiltonian for the electronic states of molecules in chemical transformations

   • L. A. Gribov
   • N. I. Prokof’eva

   OriginalPaper 29 September 2012 Pages: 645 - 648

6. DFT, AIM, and NBO analyses of 1-methyl-2-thioxoimidazolidin-4-one tautomers and their complexes with iodine

   • H. Tavakol
   • T. Hadadi
   • H. Roohi

   OriginalPaper 29 September 2012 Pages: 649 - 658

7. Theoretical study on dimers of 2,6-diamino-3,5-dinitropyridine and its N-oxide

   • L. -F. Xie
   • C. -C. Ye
   • F. -Q. Zhao

   OriginalPaper 29 September 2012 Pages: 659 - 664

8. DFT characterization of 1-acetylpiperazinyl-dithiocarbamate ligand and its transition metal complexes

   • S. A. Beyramabadi
   • A. Morsali
   • S. H. Vahidi

   OriginalPaper 29 September 2012 Pages: 665 - 675

9. DFT study on the structure and detonation properties of amino, methyl, nitro, and nitroso substituted 3,4,5-trinitropyrazole-2-oxides: New high energy materials

   • P. Ravi
   • G. M. Gore
   • S. P. Tewari

   OriginalPaper 29 September 2012 Pages: 676 - 684

10. ESR and luminescence of ZnWO₄ crystals activated by gadolinium ions

    • A. A. Ryadun
    • E. N. Galashov
    • V. N. Shlegel

    OriginalPaper 29 September 2012 Pages: 685 - 689

11. X-ray spectroscopic study of the electronic structure of boron carbonitride films obtained by chemical vapor deposition on Co/Si and CoO _x /Si substrates

    • Yu. V. Fedoseeva
    • M. L. Kosinova
    • F. A. Kuznetsov

    OriginalPaper 29 September 2012 Pages: 690 - 698

12. X-ray photoelectron and auger spectroscopic study of the chemical composition of BC _x N _y films

    • V. G. Kesler
    • M. L. Kosinova
    • V. S. Sulyaeva

    OriginalPaper 29 September 2012 Pages: 699 - 707

13. Structure of HfO₂ films and binary oxides on its base

    • T. P. Smirnova
    • L. V. Yakovkina
    • V. V. Kriventsov

    OriginalPaper 29 September 2012 Pages: 708 - 714

14. Preparation of thin films of platinum group metals by pulsed MOCVD. I. Deposition of Ir layers

    • N. V. Gelfond
    • N. B. Morozova
    • A. V. Latyshev

    OriginalPaper 29 September 2012 Pages: 715 - 724

15. Preparation of thin films of platinum group metals by pulsed MOCVD. II. Deposition of Ru layers

    • N. B. Morozova
    • N. V. Gelfond
    • A. V. Latyshev

    OriginalPaper 29 September 2012 Pages: 725 - 733

16. Crystallographic analysis of microtwin structures of sulfides: The case study of lillianite and heyrovskyite

    • S. V. Borisov
    • S. A. Magarill
    • N. V. Pervukhina

    OriginalPaper 29 September 2012 Pages: 734 - 739

17. Crystal structures of 1,1,1-trifluoro-4-hydroxy-4-phenyl-but-3-en-2-one, 2,2,6,6-tetramethyl-3-hydroxy-hept-3-en-5-one, 2,2,6,6-tetramethyl-3-methylamino-hept-3-en-5-one and a study of the ability of these ligands to complex formation with metals

    • P. A. Stabnikov
    • L. G. Bulusheva
    • I. A. Baidina

    OriginalPaper 29 September 2012 Pages: 740 - 747

18. [Co(NH₃)₆](WO₄)Cl: Synthesis, crystal structure, and thermal properties

    • S. P. Khranenko
    • A. V. Alexeyev
    • S. A. Gromilov

    OriginalPaper 29 September 2012 Pages: 748 - 752

19. Crystal structure of 2{[H(1,10-C₁₂H₈N₂)]₂[(B₉C₂H₁₁) Co^III(B₈C₂H₁₀)Co^III(B₉C₂H₁₁)]}·3CH₃CN·3H₂O

    • T. M. Polyanskaya
    • M. K. Drozdova
    • V. V. Volkov

    OriginalPaper 29 September 2012 Pages: 753 - 760

20. Crystal structures of hafnium(IV) and zirconium(IV) complexes with β-diketones

    • K. V. Zherikova
    • N. B. Morozova

    OriginalPaper 29 September 2012 Pages: 761 - 767

21. Single crystal X-ray diffraction study of the cubic ionic clathrate hydrate of tetrabutyl ammonium propionate (C₄H₉)₄NC₂H₅COO·27.0H₂O

    • V. Yu. Komarov
    • T. V. Rodionova
    • K. Suwinska

    OriginalPaper 29 September 2012 Pages: 768 - 775

22. Crystal structure of a nickel(II) complex with the macrocyclic ligand 4-methyl-1,3,5,8,11,14-hexaazatricyclooctadecane

    • X. Jiang
    • H. Xia
    • X. Wang

    OriginalPaper 29 September 2012 Pages: 776 - 779

23. Crystal structures of dimolybdenum carbonyl complexes containing the cyclopentadienyl-thienyl ligand

    • J. -W. Wang
    • L. -J. Tian
    • J. Lin

    OriginalPaper 29 September 2012 Pages: 780 - 785

24. Structure and stereochemical assignment of spheropsidone, a phytotoxin from Diplodia cupressi

    • A. Tuzi
    • A. Andolfi
    • A. Evidente

    OriginalPaper 29 September 2012 Pages: 786 - 792

25. Crystal structures of 4-(oxiran-2-ylmethoxy) benzoic acid and 4-acetoxybenzoic acid

    • A. Obreza
    • F. Perdih

    OriginalPaper 29 September 2012 Pages: 793 - 799

26. Structural features and conductivity of silicon films: Simulation and experiment

    • P. L. Novikov
    • O. I. Semenova
    • R. G. Sharafutdinov

    OriginalPaper 29 September 2012 Pages: 800 - 804

27. On the formation of the crystalline phases and nanostructure of silicon carbonitride layers grown on gallium arsenide substrates

    • N. I. Fainer
    • V. I. Kosyakov
    • E. A. Maximovskii

    OriginalPaper 29 September 2012 Pages: 805 - 811

28. Composition and structure of silicon carbonitride layers grown on Si(100)/(Fe, N, Co) substrates

    • N. I. Fainer
    • V. I. Kosyakov
    • P. N. Gevko

    OriginalPaper 29 September 2012 Pages: 812 - 818