1. Transformation of Bloch representation into atomic orbital representation and combined matrix element calculation technique for spatially bounded basis functions in crystals

   • V. M. Tapilin

   OriginalPaper Pages: 1 - 8

2. Corrugated single-layer graphite sheet as a model of stepped surface of a crystal

   • V. M. Tapilin

   OriginalPaper Pages: 9 - 15

3. Structure of (DMF)_m(HCl)_n complexes (m= 2, n = 3–4)

   • G. V. Yukhnevich
   • E. G. Tarakanova
   • I. S. Kislina

   OriginalPaper Pages: 16 - 22

4. Structure and stability of hydrogen fluoride complexes with N,N-dimethylformamide

   • E. G. Tarakanova
   • G. V. Yukhnevich

   OriginalPaper Pages: 23 - 27

5. Isomer structures of thioketene and its cyclic oligomers. Ab initio calculations

   • Yu. L. Frolov
   • A. G. Malkina
   • B. A. Trofimov

   OriginalPaper Pages: 28 - 33

6. Quantum chemical study of the effects of interaction of polyhydrated Hg(II) with methylcobalamin — A derivative of vitamin B₁₂

   • V. A. Shagun
   • S. G. Shevchenko
   • Yu. L. Frolov

   OriginalPaper Pages: 34 - 42

7. Theoretical study of the conformational states of triosmium clusters with a chiral pinane ligand

   • V. A. Potemkin
   • V. A. Maksakov
   • V. S. Korenev

   OriginalPaper Pages: 43 - 48

8. Some aspects of scaling factor calculations for quantum-mechanical molecular force fields

   • Yu. N. Panchenko
   • Ch. W. Bock
   • G. R. De Maré

   OriginalPaper Pages: 49 - 58

9. ⁶³Cu and ¹³⁹La NMR and chemical bonding in anion-deficient perovskite LACu_0.81Ni_0.19O_2.5+δ

   • R. N. Pletnev
   • É. I. Yurieva
   • G. V. Bazuev

   OriginalPaper Pages: 59 - 66

10. Structural and thermodynamic analysis of heteroassociation of daunomycin and flavin mononucleotide molecules in water by ¹H NMR spectroscopy

    • M. P. Evstigneev
    • A. O. Rozvadovskaya
    • A. N. Veselkov

    OriginalPaper Pages: 67 - 74

11. Identification of Pt(II) and Pd(II) stereoisomeric complexes with aminobutyric acid by NMR and IR spectroscopy

    • L. F. Krylova
    • L. M. Matveeva

    OriginalPaper Pages: 75 - 86

12. Structure of irradiated polytetrafluoroethylene according to DFT calculations of NMR chemical shifts

    • V. M. Buznik
    • S. P. Gabuda
    • L. N. Ignatieva

    OriginalPaper Pages: 87 - 92

13. Prepeak in the structural factor. Inhomogeneous packings of Lennard-Jones atoms

    • V. P. Voloshin
    • N. N. Medvedev

    OriginalPaper Pages: 93 - 97

14. Interatomic voids in analysis of computer model structures of liquids and glasses

    • N. N. Medvedev
    • V. P. Voloshin

    OriginalPaper Pages: 98 - 102

15. Crystal structure of KPb₂Cl₅ and KPb₂Br₅

    • A. A. Merkulov
    • L. I. Isaenko
    • D. Yu. Naumov

    OriginalPaper Pages: 103 - 108

16. Synthesis, crystal structure, and properties of [Rh(NH₃)₅Cl][ReBr₆]

    • K. V. Yusenko
    • S. A. Gromilov
    • S. V. Korenev

    OriginalPaper Pages: 109 - 115

17. Crystal structure of Pb₂[Fe(CN)₆]NO³·5.5H₂O

    • S. A. Gromilov
    • I. A. Baidina
    • L. G. Maksimova

    OriginalPaper Pages: 116 - 121

18. Synthesis and structure of binuclear compounds of copper(I) with [(3,5-dimethylpyrazole-1-carbothioyl)-amino]-carboxylic esters

    • Z. A. Savelyeva
    • S. A. Popov
    • S. V. Larionov

    OriginalPaper Pages: 122 - 130

19. Crystal and molecular structure of [Au(C₁₄H₂₄N₄)][H₃O](ClO₄)₄

    • V. A. Afanasyeva
    • L. A. Glinskaya
    • L. A. Sheludyakova

    OriginalPaper Pages: 131 - 136

20. Synthesis and structure of [Ni(dien)₂]₃[W₄S₄(CN)₂]·20H₂O and [Cu(dien)(Hdien)]₂[W₄S₄(CN)₁₂]·8H₂O

    • I. V. Kalinina
    • D. G. Samsonenko
    • M. Yu. Antipin

    OriginalPaper Pages: 137 - 146

21. Synthesis and crystal structure of KNa₃[Fe₃O(CH₃COO)₆(H₂O)₂]₃ [α-P₂W₁₇Fe(H₂O)O₆₁]·32.5H₂O

    • N. V. Izarova
    • M. N. Sokolov
    • V. P. Fedin

    OriginalPaper Pages: 147 - 153

22. Molecular and crystal structure of 3-butoxy-4-(1,3,3-trimethyl-2,3-dihydro-1H-2-indolylidenemethyl)-3-cyclobutene-1,2-dione and its thio analog

    • S. V. Shishkina
    • V. N. Baumer
    • L. D. Patsenker

    OriginalPaper Pages: 154 - 158

23. Ab initio investigation of aniline and n-propylamine associates with dimethylsulfoxide, isobutyronitrile, and N-methylpiperidone

    • I. A. Novakov
    • V. V. Korolkov
    • L. A. Gribov

    Brief Communications Pages: 159 - 163

24. Tunneling effects of dyadic prototropic rearrangement of hypophosphorous acid

    • A. V. Prisyazhnyuk
    • Yu. V. Babin

    OriginalPaper Pages: 164 - 167

25. Ab initio calculation of the structure of acetate cellulose membranes for reverse osmosis

    • E. V. Butyrskaya
    • V. A. Shaposhnik
    • A. A. Reznikov

    OriginalPaper Pages: 168 - 171

26. Changes in the conformational parameters of 1-allylbenzotriazole in a mixed halide π-complex [CuCl_0.85Br_0.15(C₆H₄N₃CH₂=CH₂)] under the action of bromine atoms

    • E. A. Goreshnik
    • B. M. Mykhalichko
    • V. N. Davydov

    OriginalPaper Pages: 172 - 176

27. Crystal and molecular structure of (hexafluoroacetylacetonato) (pivaloylacetonato)copper(II)

    • I. A. Baidina
    • S. A. Gromilov
    • A. D. Vasilyev

    OriginalPaper Pages: 177 - 181

28. Crystal and molecular structure of tris(m-chlorophenyl)phosphine selenide

    • A. N. Chekhlov

    OriginalPaper Pages: 182 - 184

29. Disordered crystal structure of 4,7,13,16,21,24-hexaoxa-1-aza-10-azoniabicyclo[8.8.8]hexacosane perchlorate monohydrate

    • A. N. Chekhlov

    OriginalPaper Pages: 185 - 190

30. Molecular and crystal structure of N-[2H-1,4-benzoxazin-3(4H)-ylidene]-cyclohexane aminium chloride

    • S. V. Shishkina
    • S. M. Desenko
    • O. V. Shishkin

    OriginalPaper Pages: 191 - 194