Volume 54; Issue 1

Journal of Structural Chemistry

Volume 54; Issue 1

1

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 441 KB

english, 2013

2

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

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 294 KB

english, 2013

3

Structural features of thiocarbamide derivatives of some lanthanide iodides

Antonenko, T. A., Alikberova, L. Yu., Alâbov, D. V., Rukk, N. S.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 242 KB

english, 2013

4

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

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 160 KB

english, 2013

5

In situsynthesis and structure of FeCl4(4,4′-diethyl-4,4′-bipyh) (bipy = bipyridine)

Chen, W. -T., Luo, Z. -G., Liu, D. -S., Xu, Y. -P., Luo, Q. -Y.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 156 KB

english, 2013

6

Crystal structures of allyltriphenyl-phosphonium halogenocuprates(I)

Noshchenko, G. V., Salivon, N. F., Zarychta, B., Olijnyk, V. V.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 231 KB

english, 2013

7

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

Levenets, T. V., Kozâminykh, V. O., Tolstikova, A. O.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 143 KB

english, 2013

8

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

Lodochnikova, O. A., Bodrov, A. V., Saifina, A. F., Nikitina, L. E., Litvinov, I. A.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 174 KB

english, 2013

9

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

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 267 KB

english, 2013

10

Structural investigation of ethylenediaminium tetrachloroaurates(III)

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 209 KB

english, 2013

11

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 158 KB

english, 2013

12

Crystal structure of a new supramolecular Ni(II)N6-benzylaminopurine compound

Xia, M., Wei, C. -L.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 252 KB

english, 2013

13

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

Stabnikov, P. A., Korolkov, I. V., Krisyuk, V. V., Baidina, I. A.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 219 KB

english, 2013

14

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

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 987 KB

english, 2013

15

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

Ibotomba Singh, U., Bhubon Singh, R. K., Borah, M. J., Jasinski, J. P., Golen, J. A.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 199 KB

english, 2013

16

Unusual crystal and molecular structure oftris(2-hydroxyethyl)ammonium fluoride

Voronkov, M. G., Korlyukov, A. A., Kochina, T. A., Zelâbst, Ã. A.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 123 KB

english, 2013

17

Absolute configuration of 3-acetylbetulinic acid

Suleimen, E. M., Hecke, K., Meervelt, L., Deborggraeve, Wim, Dehaen, Wim

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 153 KB

english, 2013

18

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

Cuin, A., Pereira, G. A., Bortoluzzi, A. J., Massabni, A. C., Corbi, P. P.

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 172 KB

english, 2013

19

A quantum chemical study of the mechanism of the regioselective domino-reaction ofO-vinyl-2-tetralone oxime

V. A. Shagun, A. M. Vasil’tsov, A. V. Ivanov…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 548 KB

english, 2013

20

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

H. -M. Zhang, X. Wan

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 200 KB

english, 2013

21

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

Q. Y. Xia, D. X. Ma, D. J. Li, W. W. Zhao

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 257 KB

english, 2013

22

Carbometallic derivatives ofC1vandC5vboranes: Enumeration and identification of substitution isomers and the calculation scheme of the properties ofC5vbased on pascal’s triangle numbers

V. M. Smolyakov, D. V. Sokolov, D. Yu. Nilov…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 626 KB

english, 2013

23

Reasons for the line broadening in the epr spectra of copper ions in Li2-2xZn2+x(MoO4)3lithium-zinc molybdate crystals

A. A. Ryadun, V. A. Nadolinny, A. A. Pavlyuk…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 211 KB

english, 2013

24

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

A. V. Teplukhin

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 152 KB

english, 2013

25

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

V. N. Afanas’ev

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 765 KB

english, 2013

26

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

V. P. Korolev, A. L. Serebryakova

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 132 KB

english, 2013

27

Pseudosymmetry in crystalline compounds with highly symmetric sublattices

A. S. Poplavnoi

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 136 KB

english, 2013

28

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

E. V. Tretyakov, S. E. Tolstikov, G. V. Romanenko…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 237 KB

english, 2013

29

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

F. Zhi, N. Shao, Q. Wang, Y. Zhang, R. Wang, Y. Yang

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 248 KB

english, 2013

30

Tartaric acid and itsO-acyl derivatives. 7. Crystal structure ofO-p-anisoyl-D-tartaric acid and its dimethylammonium salt trihydrate

G. Wesela-Bauman, T. Boinski, P. Dominiak, H. Hajmowicz…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 237 KB

english, 2013

31

A quantum chemical study of silsesquioxanes: H8Si8O12, Me8Si8O12, H@Me8Si8O12, He@Me8Si8O12+, and He@Me8Si8O12

S. G. Semenov, M. E. Bedrina

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 141 KB

english, 2013

32

Structure of the complex of hexanuclear manganese pivalate with isonicotinamide

E. Yu. Fursova, V. I. Ovcharenko, A. S. Bogomyakov…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 167 KB

english, 2013

33

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

M. G. Voronkov, V. S. Fundamenskii, S. N. Adamovich…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 200 KB

english, 2013

34

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 387 KB

english, 2013

35

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

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 205 KB

english, 2013

36

Chiral crystallization ofcis-2,3-dichloro-buth-2-ene-1,4-diol

O. A. Lodochnikova, L. Z. Latypova, R. M. Khakimov…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 119 KB

english, 2013

37

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, M. Badali, K. Ślepokura, T. Lis…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 211 KB

english, 2013

38

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

X. Liu, Y. Yang, X. Wang, Y. Wang, M. Jiang, C. Shi

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 125 KB

english, 2013

39

Photoelectron spectra of powder and single crystalline chromium-copper disulfides

E. V. Korotaev, N. N. Peregudova, L. N. Mazalov…

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 146 KB

english, 2013

40

A multinuclear1H,13C, and15N magnetic resonance study of ten 4-nitropyridine N-oxides

A. Puszko, K. Laihia, E. Kolehmainen, Z. Talik

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 124 KB

english, 2013

41

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

M. Nieuwenhuyzen, G. C. Saunders

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 147 KB

english, 2013

42

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

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 112 KB

english, 2013

43

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

Journal:

Journal of Structural Chemistry

Year:

2013

Language:

english

File:

PDF, 183 KB

english, 2013