Volume 58; Issue 4

Journal of Structural Chemistry

Volume 58; Issue 4

1

Ab initio study of the structure and electronic properties of magnesium and calcium nitrates and their crystal hydrates

Zhuravlev, Yu. N., Korabel`nikov, D. V.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 1.00 MB

english, 2017

2

A DFT study on the structural and electronic properties of small toxic gases on B- and Al- doped C20 fullerene

Molani, F., Askari, M.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 582 KB

english, 2017

3

Crystal structure and 121,123Sb NQR parameters of ammonium tridecafluorotetraantimonate(III) NH4Sb4F13

Zemnukhova, L. A., Udovenko, A. A., Makarenko, N. V., Kuznetsov, S. I., Babushkina, T. A.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 250 KB

english, 2017

4

Effect of protonation on the structure of 1,3,6,8-tetraazatricyclo[4.4.1.13,8] dodecane (TATD) adamanzane: Crystal structure and DFT analysis of 3,6,8-triaza-1-azoniatricyclo[4.4.1.13,8]dodecane 4-nitrophenolate 4-nitrophenol

Rivera, A., Uribe, J. M., Ríos-Motta, J., Bolte, M.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 333 KB

english, 2017

5

Crystal structure of a new binuclear complex of bis(2,4,6,8-tetramethyl-2,4,6,8-tetraazabicyclo(3.3.0)octane -3,7-dione-O, O′)-diaqua-hexakis(nitrato-O,O′)-digadolinium(III) monohydrate

Netreba, E. E., Somov, N. V.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 325 KB

english, 2017

6

Spectroscopic characterization and room-temperature structure of bis(4-aminopyridinium) dichromate

Ben Smail, R., Chebbi, H., Srinivasan, B. R., Zid, M. F.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 1.26 MB

english, 2017

7

Two new cadmium(II) coordination polymers with bis(benzimidazole) ligands

Liu, X.-B., Zhao, Y.-Q., Liu, W.-L., Cui, G.-H.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 1.08 MB

english, 2017

8

Crystal structure of Na3[TaO8]·14H2O

Abramov, P. A., Shmakova, A. A., Sokolov, M. N.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 248 KB

english, 2017

9

Structure and urease inhibitory activity of copper(II) complex with (E)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylic acid

Chen, X.-F., Wang, C.-F., Kong, S., Li, C., Zhou, X., Zhang, C.-Y., Sheng, G.-H., Zhu, H.-L.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 329 KB

english, 2017

10

Prediction of changes in the heat capacity of the liquid–vapor phase transition based on modified Randič indices. Alkanes and oxygen-containing compounds

Krasnykh, E. L., Portnova, S. V.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 261 KB

english, 2017

11

Molecular and crystal structure of 1,1-bis(methoxy-NNO-azoxy)-3,3,3-trinitropropane

Zyuzin, I. N., Aliev, Z. G., Aldoshin, S. M.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 307 KB

english, 2017

12

Structure–reactivity relationship in Diels–Alder reactions obtained using the condensed reaction graph approach

Madzhidov, T. I., Gimadiev, T. R., Malakhova, D. A., Nugmanov, R. I., Baskin, I. I., Antipin, I. S., Varnek, A. A.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 294 KB

english, 2017

13

To evaluation of the state of the own macroscopic force field of liquids

Kartsev, V. N., Shtykov, S. N., Pankin, K. E.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 281 KB

english, 2017

14

Density functional theory insight into Eu(III) and Am(III) complexes with two 2,6-dicarboxypyridine diamide-type ligands

Yang, Y., Fang, Y., Liu, Q., Yang, L., Hu, S., Hu, S., Wang, D., Zhang, H., Luo, S.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 726 KB

english, 2017

15

X-ray crystal structure and conformational flexibility study of a N-substituted 2,6-diphenylpiperidine derivative

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 318 KB

english, 2017

16

Crystal structure of 2-(2-morpholinoacetyl) hydrazinocarbothioamide

Turdybekov, K. M., Nurkenov, O. A., Satpaeva, Zh. B., Fazylov, S. D., Talipov, S. A., Ibragimov, B. T., Utegenova, A. S.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 158 KB

english, 2017

17

IR spectroscopic study of H complexes of dioxolane derivatives with methanol in CCl4 solutions

Mulloev, N. U., Yusupova, J., Makhsudov, B. I.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 132 KB

english, 2017

18

Topology of supramolecular structures in ethanol solutions

Tolmachev, A. M., Klimov, A. V., Anuchin, K. V., Firsov, D. A.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 406 KB

english, 2017

19

Relationship between the structure and physicochemical characteristics of 1,2,3,4-tetrahydroquinoline derivatives

Nekrasova, N. A., Kurbatova, S. V.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 784 KB

english, 2017

20

The first chromate containing both Cr2O7 and Cr3O10 groups, bis(1,3-bis(4-piperidinium)propane) dichromate trichromate monohydrate: Synthesis and crystal structure

Ben Smail, R., Zid, M. F., Driss, A.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 786 KB

english, 2017

21

Theoretical studies of the spin Hamiltonian parameters and local structures for Ag2+ in AgCl and KCl crystals

Zhang, L.-J., Wu, S.-Y., Kuang, M.-Q., Hu, X.-F., Li, G.-L.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 247 KB

english, 2017

22

Palladium-containing composite nanomaterials based on polycaprolactam: Formation and structure

Akhmadov, I. D., Mel′nikova, N. E., Babayeva, A. Z., Akhmedov, V. M.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 850 KB

english, 2017

23

Crystal structure and spectroscopic properties of isothiocyanato[(3,14-dimethyl-2,6,13,17-tetraazatricyclo(16.4.0.07,12)docosane)]copper(II) thiocyanate

Subhan, M. A., Ng, S. W., Lee, C.-S., Choi, J.-H.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 430 KB

english, 2017

24

Crystal structures of binuclear Bi(III) chloride and bromide complexes with some cations — Alkylated pyridine derivatives

Adonin, S. A., Gorokh, I. D., Samsonenko, D. G., Korol`kov, I. V., Sokolov, M. N., Fedin, V. P.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 743 KB

english, 2017

25

DFT/TDDFT investigation on the electronic structures and spectral characteristics of C5H3XOS (X = H, F, Cl or Br)

Güneş, E., Parlak, C., Şenyel, M.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 1.02 MB

english, 2017

26

Structure of a new chelate complex MO2O3(dpm)4

Ledneva, A. Yu., Artemkina, S. B., Stabnikov, P. A., Yanshole, L. V., Fedorov, V. E.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 303 KB

english, 2017

27

Hexanuclear Na(I) complex with 3,5-dimethyl-1H-pyrazole and its anion

Vinogradova, K. A., Stabnikov, P. A., Alferova, N. I., Naumov, D. Yu., Rumyantsev, Yu. M.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 574 KB

english, 2017

28

Crystal structure of rubidium and cesium tetrafluoroindate(III) dihydrates

Davidovich, R. L., Logvinova, V. B., Tkachev, V. V., Shilov, G. V.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 240 KB

english, 2017

29

Studies on the g-factors of the copper(II)–oxygen compounds

Li, G.-L., Wu, S.-Y., Kuang, M.-Q., Hu, X.-F., Xu, Y.-Q.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 214 KB

english, 2017

30

New volatile zirconium(IV) complex with methoxy substituted β-diketonate

Krisyuk, V. V., Baidina, I. A., Turgambaeva, A. E., Korolkov, I. V., Urkasym kyz, S., Igumenov, I. K.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 284 KB

english, 2017

31

Structure of lanthanum(III) tris-dipivaloylmethanate

Yuikhan, Lu, Mosyagina, S. A., Stabnikov, P. A., Alferova, N. I., Korol`kov, I. V., Pervukhina, N. V., Morozova, N. B.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 306 KB

english, 2017

32

Crystal structure of potassium β-tetrafluoroantimonate(III) (β-KSbF4)

Udovenko, A. A., Zemnukhova, L. A., Makarenko, N. V.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 177 KB

english, 2017

33

Structural characterization of a bioctahedral cluster [Re12CS14(μ-SO2)(μ-S)2(CN)6]6– anion

Lappi, T. I., Gayfulin, Ya. M., Smolentsev, A. I., Mironov, Yu. V.

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 229 KB

english, 2017

34

Cubic cation framework in trigonal structures of tourmalins: The core of structural type stability

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

Journal:

Journal of Structural Chemistry

Year:

2017

Language:

english

File:

PDF, 373 KB

english, 2017