1. Zero field splitting of triplet levels of conjugated molecules: A comparison of exact and approximate π-schemes

   • A. V. Luzanov

   OriginalPaper 26 March 2013 Pages: 1 - 9

2. Structure of the HOO-N=N-OOH intermediate in hydrogen peroxide activation of N₂: Quantum chemical DFT calculations

   • I. I. Zakharov
   • M. G. Loriya
   • A. B. Tselishchev

   OriginalPaper 26 March 2013 Pages: 10 - 16

3. A quantum chemical study of the mechanism of the regioselective domino-reaction of O-vinyl-2-tetralone oxime

   • V. A. Shagun
   • A. M. Vasil’tsov
   • B. A. Trofimov

   OriginalPaper 26 March 2013 Pages: 17 - 25

4. Investigation of EPR parameters and the local structure of the rhombic Cu²⁺ center in zinc fluoride

   • H. -M. Zhang
   • X. Wan

   OriginalPaper 26 March 2013 Pages: 26 - 31

5. Theoretical study on the structures and properties of (Br₂AlN₃) _n (n = 1–4) clusters

   • Q. Y. Xia
   • D. X. Ma
   • W. W. Zhao

   OriginalPaper 26 March 2013 Pages: 32 - 39

6. Structural, electronic, and vibrational properties of acetylene on Pd(100) doped with Sn or Pb: A DFT cluster model study

   • P. Matczak

   OriginalPaper 26 March 2013 Pages: 40 - 49

7. Carbometallic derivatives of C _1v and C _5v boranes: Enumeration and identification of substitution isomers and the calculation scheme of the properties of C _5v based on pascal’s triangle numbers

   • V. M. Smolyakov
   • D. V. Sokolov
   • V. V. Grebeshkov

   OriginalPaper 26 March 2013 Pages: 50 - 58

8. Reasons for the line broadening in the epr spectra of copper ions in Li_2-2x Zn_2+x (MoO₄)₃ lithium-zinc molybdate crystals

   • A. A. Ryadun
   • V. A. Nadolinny
   • E. G. Boguslavskii

   OriginalPaper 26 March 2013 Pages: 59 - 64

9. Parallel and distributed computing in problems of supercomputer simulation of molecular liquids by the Monte Carlo method

   • A. V. Teplukhin

   OriginalPaper 26 March 2013 Pages: 65 - 74

10. Quantitative estimation of the discontinuous function of the solvent in aqueous electrolyte solutions

    • V. N. Afanas’ev

    OriginalPaper 26 March 2013 Pages: 75 - 87

11. Hydration of α-alanine in aqueous sodium chloride and urea solutions

    • V. P. Korolev
    • A. L. Serebryakova

    OriginalPaper 26 March 2013 Pages: 88 - 91

12. Pseudosymmetry in crystalline compounds with highly symmetric sublattices

    • A. S. Poplavnoi

    OriginalPaper 26 March 2013 Pages: 92 - 96

13. Crystal structure of sodium-strontium paratungstate B, Na₆Sr₂[W₁₂O₄₀(OH)₂]·24H₂O

    • S. V. Radio
    • N. I. Gumerova
    • V. N. Baumer

    OriginalPaper 26 March 2013 Pages: 97 - 103

14. Structure of Mn(II), Co(II), Ni(II), and Cu(II) complexes with triformylmethane

    • E. V. Tretyakov
    • S. E. Tolstikov
    • V. I. Ovcharenko

    OriginalPaper 26 March 2013 Pages: 104 - 109

15. Crystal structure of a new supramolecular Ni(II) N ⁶-benzylaminopurine compound

    • M. Xia
    • C. -L. Wei

    OriginalPaper 26 March 2013 Pages: 110 - 115

16. Characterization and crystal structure study of a new Cu(II) complex of pyridine-2,6-dicarboxylic acid and aniline containing a water cluster

    • U. Ibotomba Singh
    • R. K. Bhubon Singh
    • J. A. Golen

    OriginalPaper 26 March 2013 Pages: 116 - 122

17. A study of the structure and properties of mixed-ligand Cu(II) complexes with hexafluoroacetylacetone and methyl-, phenyl-ketoimines

    • P. A. Stabnikov
    • I. V. Korolkov
    • I. A. Baidina

    OriginalPaper 26 March 2013 Pages: 123 - 128

18. Crystal structures of allyltriphenyl-phosphonium halogenocuprates(I)

    • G. V. Noshchenko
    • N. F. Salivon
    • V. V. Olijnyk

    OriginalPaper 26 March 2013 Pages: 129 - 133

19. Structural features of thiocarbamide derivatives of some lanthanide iodides

    • T. A. Antonenko
    • L. Yu. Alikberova
    • N. S. Rukk

    OriginalPaper 26 March 2013 Pages: 134 - 139

20. A new polymorph of methimazole: Single crystal and powder X-ray diffraction study

    • O. A. Lodochnikova
    • A. V. Bodrov
    • I. A. Litvinov

    OriginalPaper 26 March 2013 Pages: 140 - 147

21. Crystal structures and antibacterial activity of hydrazone derivatives from 1H-indol-3-acetohydrazide

    • F. Zhi
    • N. Shao
    • Y. Yang

    OriginalPaper 26 March 2013 Pages: 148 - 154

22. Tartaric acid and its O-acyl derivatives. 7. Crystal structure of O-p-anisoyl-D-tartaric acid and its dimethylammonium salt trihydrate

    • G. Wesela-Bauman
    • T. Boinski
    • K. Zawada

    OriginalPaper 26 March 2013 Pages: 155 - 158

23. A quantum chemical study of silsesquioxanes: H₈Si₈O₁₂, Me₈Si₈O₁₂, H@Me₈Si₈O₁₂, He@Me₈Si₈O ₁₂ ⁺ , and He@Me₈Si₈O₁₂

    • S. G. Semenov
    • M. E. Bedrina

    Brief Communications 26 March 2013 Pages: 159 - 163

24. Structure of the complex of hexanuclear manganese pivalate with isonicotinamide

    • E. Yu. Fursova
    • V. I. Ovcharenko
    • G. V. Romanenko

    Brief Communications 26 March 2013 Pages: 164 - 167

25. Crystal structural and thermal properties of a 1D cadmium coordination polymer [Cd(PhCOO)₂(bbbm)] _n

    • C. -H. He
    • C. -H. Jiao
    • G. -H. Cui

    Brief Communications 26 March 2013 Pages: 168 - 172

26. In situ synthesis and structure of FeCl₄(4,4′-diethyl-4,4′-bipyh) (bipy = bipyridine)

    • W. -T. Chen
    • Z. -G. Luo
    • Q. -Y. Luo

    Brief Communications 26 March 2013 Pages: 173 - 176

27. Crystal structure of diacetato-bis(2-methyl-2-propylamine)zinc(II)

    • E. Kandasamy

    Brief Communications 26 March 2013 Pages: 177 - 181

28. Crystal and molecular structure of N-methyl-bis(2-hydroxyethyl)ammonium (4-chlorphenylsulfonyl)acetate

    • M. G. Voronkov
    • V. S. Fundamenskii
    • A. N. Mirskova

    Brief Communications 26 March 2013 Pages: 182 - 185

29. Structure of ethyl 3-(4-tolyl)hydrazono-2,4-dioxopentanoates

    • T. V. Levenets
    • V. O. Koz’minykh
    • A. O. Tolstikova

    Brief Communications 26 March 2013 Pages: 186 - 188

30. Absolute configuration of 3-acetylbetulinic acid

    • E. M. Suleimen
    • K. Van Hecke
    • Wim Dehaen

    Brief Communications 26 March 2013 Pages: 189 - 191

31. Unusual crystal and molecular structure of tris(2-hydroxyethyl)ammonium fluoride

    • M. G. Voronkov
    • A. A. Korlyukov
    • È. A. Zel’bst

    Brief Communications 26 March 2013 Pages: 192 - 195

32. Novel crystal structures of potassium salts of chalcohydroxo cluster complexes [Re₆Q₈(OH)₆]⁴⁻ (Q = S or Se)

    • K. A. Brylev

    Brief Communications 26 March 2013 Pages: 196 - 200

33. Crystal structure and thermal properties of [Pt(NH₃)₅Cl][ReCl₆]Cl·H₂O

    • A. V. Zadesenets
    • I. V. Korol’kov
    • S. A. Gromilov

    Brief Communications 26 March 2013 Pages: 201 - 205

34. Structural investigation of ethylenediaminium tetrachloroaurates(III)

    • E. V. Makotchenko
    • I. A. Baidina
    • L. A. Sheludyakova

    Brief Communications 26 March 2013 Pages: 206 - 212

35. Chiral crystallization of cis-2,3-dichloro-buth-2-ene-1,4-diol

    • O. A. Lodochnikova
    • L. Z. Latypova
    • I. A. Litvinov

    Brief Communications 26 March 2013 Pages: 213 - 216

36. Single crystal X-ray structure of 2,6-di-tert-butyl-4-(3-(4-chlorophenyl)-4-methyl-4,5-dihydroisoxazol-5-yl)phenol 1,4-dioxane hemisolvate

    • M. Rimaz
    • J. Khalafy
    • S. W. Joo

    Brief Communications 26 March 2013 Pages: 217 - 222

37. Lanthanide(III) chelates as MRI contrast agents: A brief description

    • H. Ur. Rashid
    • K. Yu
    • J. Zhou

    Brief Communications 26 March 2013 Pages: 223 - 249

38. Potential energy curves and calculations of spectroscopic constants for the ground state of AlC and AlN

    • X. Liu
    • Y. Yang
    • C. Shi

    Brief Communications 26 March 2013 Pages: 250 - 254

39. Photoelectron spectra of powder and single crystalline chromium-copper disulfides

    • E. V. Korotaev
    • N. N. Peregudova
    • A. Yu. Pichugin

    Brief Communications 26 March 2013 Pages: 255 - 258

40. A multinuclear ¹H, ¹³C, and ¹⁵N magnetic resonance study of ten 4-nitropyridine N-oxides

    • A. Puszko
    • K. Laihia
    • Z. Talik

    Brief Communications 26 March 2013 Pages: 259 - 263

41. Crystal structure of (η⁵-pentamethylcyclo-pentadienyl)(methyldiphenylphosphite-P)dichlororhodium(III)

    • M. Nieuwenhuyzen
    • G. C. Saunders

    Brief Communications 26 March 2013 Pages: 264 - 268

42. Characterization, and crystal structure of thiophenyl-2-methylidene-2-aminophenol

    • A. Cuin
    • G. A. Pereira
    • P. P. Corbi

    Brief Communications 26 March 2013 Pages: 269 - 273

43. Crystal and molecular structure of 4-chloro×(benzoyloxymethyl)trifluorosilane at 120 K

    • È. A. Zel’bst
    • A. A. Korlyukov
    • M. G. Voronkov

    Brief Communications 26 March 2013 Pages: 274 - 276