Volume 58, Issue 4

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July 2017

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35 articles in this issue

Ab initio study of the structure and electronic properties of magnesium and calcium nitrates and their crystal hydrates
Yu. N. Zhuravlev
D. V. Korabel`nikov
OriginalPaper 15 September 2017 Pages: 641 - 649
Structure–reactivity relationship in Diels–Alder reactions obtained using the condensed reaction graph approach
T. I. Madzhidov
T. R. Gimadiev
A. A. Varnek
OriginalPaper 15 September 2017 Pages: 650 - 656
A DFT study on the structural and electronic properties of small toxic gases on B- and Al- doped C₂₀ fullerene
F. Molani
M. Askari
OriginalPaper 15 September 2017 Pages: 657 - 666
Theoretical studies of the spin Hamiltonian parameters and local structures for Ag²⁺ in AgCl and KCl crystals
L.-J. Zhang
S.-Y. Wu
G.-L. Li
OriginalPaper 15 September 2017 Pages: 667 - 674
Density functional theory insight into Eu(III) and Am(III) complexes with two 2,6-dicarboxypyridine diamide-type ligands
Y. Yang
Y. Fang
S. Luo
OriginalPaper 15 September 2017 Pages: 675 - 683
DFT/TDDFT investigation on the electronic structures and spectral characteristics of C₅H₃XOS (X = H, F, Cl or Br)
E. Güneş
C. Parlak
M. Şenyel
OriginalPaper 15 September 2017 Pages: 684 - 693
Crystal structure and ^121,123Sb NQR parameters of ammonium tridecafluorotetraantimonate(III) NH₄Sb₄F₁₃
L. A. Zemnukhova
A. A. Udovenko
T. A. Babushkina
OriginalPaper 15 September 2017 Pages: 694 - 699
Studies on the g-factors of the copper(II)–oxygen compounds
G.-L. Li
S.-Y. Wu
Y.-Q. Xu
OriginalPaper 15 September 2017 Pages: 700 - 705
Prediction of changes in the heat capacity of the liquid–vapor phase transition based on modified Randič indices. Alkanes and oxygen-containing compounds
E. L. Krasnykh
S. V. Portnova
OriginalPaper 15 September 2017 Pages: 706 - 711
To evaluation of the state of the own macroscopic force field of liquids
V. N. Kartsev
S. N. Shtykov
K. E. Pankin
OriginalPaper 15 September 2017 Pages: 712 - 717
Crystal structures of binuclear Bi(III) chloride and bromide complexes with some cations — Alkylated pyridine derivatives
S. A. Adonin
I. D. Gorokh
V. P. Fedin
OriginalPaper 15 September 2017 Pages: 718 - 723
Spectroscopic characterization and room-temperature structure of bis(4-aminopyridinium) dichromate
R. Ben Smail
H. Chebbi
M. F. Zid
OriginalPaper 15 September 2017 Pages: 724 - 733
The first chromate containing both Cr₂O₇ and Cr₃O₁₀ groups, bis(1,3-bis(4-piperidinium)propane) dichromate trichromate monohydrate: Synthesis and crystal structure
R. Ben Smail
M. F. Zid
A. Driss
OriginalPaper 15 September 2017 Pages: 734 - 741
Crystal structure and spectroscopic properties of isothiocyanato[(3,14-dimethyl-2,6,13,17-tetraazatricyclo(16.4.0.0^7,12)docosane)]copper(II) thiocyanate
M. A. Subhan
S. W. Ng
J.-H. Choi
OriginalPaper 15 September 2017 Pages: 742 - 749
Two new cadmium(II) coordination polymers with bis(benzimidazole) ligands
X.-B. Liu
Y.-Q. Zhao
G.-H. Cui
OriginalPaper 15 September 2017 Pages: 750 - 757
Structure of a new chelate complex MO₂O₃(dpm)₄
A. Yu. Ledneva
S. B. Artemkina
V. E. Fedorov
OriginalPaper 15 September 2017 Pages: 758 - 762
Molecular and crystal structure of 1,1-bis(methoxy-NNO-azoxy)-3,3,3-trinitropropane
I. N. Zyuzin
Z. G. Aliev
S. M. Aldoshin
OriginalPaper 15 September 2017 Pages: 763 - 766
Relationship between the structure and physicochemical characteristics of 1,2,3,4-tetrahydroquinoline derivatives
N. A. Nekrasova
S. V. Kurbatova
OriginalPaper 15 September 2017 Pages: 767 - 774
Palladium-containing composite nanomaterials based on polycaprolactam: Formation and structure
I. D. Akhmadov
N. E. Mel′nikova
V. M. Akhmedov
OriginalPaper 15 September 2017 Pages: 775 - 781
Topology of supramolecular structures in ethanol solutions
A. M. Tolmachev
A. V. Klimov
D. A. Firsov
OriginalPaper 15 September 2017 Pages: 782 - 788
Effect of protonation on the structure of 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8] dodecane (TATD) adamanzane: Crystal structure and DFT analysis of 3,6,8-triaza-1-azoniatricyclo[4.4.1.1^3,8]dodecane 4-nitrophenolate 4-nitrophenol
A. Rivera
J. M. Uribe
M. Bolte
OriginalPaper 15 September 2017 Pages: 789 - 796
Structure and urease inhibitory activity of copper(II) complex with (E)-3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylic acid
X.-F. Chen
C.-F. Wang
H.-L. Zhu
OriginalPaper 15 September 2017 Pages: 797 - 803
X-ray crystal structure and conformational flexibility study of a N-substituted 2,6-diphenylpiperidine derivative
N. Sampath
OriginalPaper 15 September 2017 Pages: 804 - 808
Cubic cation framework in trigonal structures of tourmalins: The core of structural type stability
S. V. Borisov
N. V. Pervukhina
S. A. Magarill
Brief Communications 15 September 2017 Pages: 809 - 812
Crystal structure of rubidium and cesium tetrafluoroindate(III) dihydrates
R. L. Davidovich
V. B. Logvinova
G. V. Shilov
Brief Communications 15 September 2017 Pages: 813 - 816
Crystal structure of Na₃[TaO₈]·14H₂O
P. A. Abramov
A. A. Shmakova
M. N. Sokolov
Brief Communications 15 September 2017 Pages: 817 - 820
Crystal structure of potassium β-tetrafluoroantimonate(III) (β-KSbF₄)
A. A. Udovenko
L. A. Zemnukhova
N. V. Makarenko
Brief Communications 15 September 2017 Pages: 821 - 823
Hexanuclear Na(I) complex with 3,5-dimethyl-1H-pyrazole and its anion
K. A. Vinogradova
P. A. Stabnikov
Yu. M. Rumyantsev
Brief Communications 15 September 2017 Pages: 824 - 827
Crystal structure of the copper(II) complex with acetylacetone and ethylenediamine obtained by template synthesis
A. M. Maharramov
M. G. Tsintsadze
F. M. Chyragov
Brief Communications 15 September 2017 Pages: 828 - 830
New volatile zirconium(IV) complex with methoxy substituted β-diketonate
V. V. Krisyuk
I. A. Baidina
I. K. Igumenov
Brief Communications 15 September 2017 Pages: 831 - 834
Structural characterization of a bioctahedral cluster [Re₁₂CS₁₄(μ-SO₂)(μ-S)₂(CN)₆]^6– anion
T. I. Lappi
Ya. M. Gayfulin
Yu. V. Mironov
Brief Communications 15 September 2017 Pages: 835 - 837
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
E. E. Netreba
N. V. Somov
Brief Communications 15 September 2017 Pages: 838 - 842
Structure of lanthanum(III) tris-dipivaloylmethanate
Lu Yuikhan
S. A. Mosyagina
N. B. Morozova
Brief Communications 15 September 2017 Pages: 843 - 846
IR spectroscopic study of H complexes of dioxolane derivatives with methanol in CCl₄ solutions
N. U. Mulloev
J. Yusupova
B. I. Makhsudov
Brief Communications 15 September 2017 Pages: 847 - 849
Crystal structure of 2-(2-morpholinoacetyl) hydrazinocarbothioamide
K. M. Turdybekov
O. A. Nurkenov
A. S. Utegenova
Brief Communications 15 September 2017 Pages: 850 - 851

Volume 58, Issue 4

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

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

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

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

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

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

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

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

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

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

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

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

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

Crystal structure and spectroscopic properties of isothiocyanato[(3,14-dimethyl-2,6,13,17-tetraazatricyclo(16.4.0.0^7,12)docosane)]copper(II) thiocyanate

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

Structure of a new chelate complex MO₂O₃(dpm)₄

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

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

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

Topology of supramolecular structures in ethanol solutions

Effect of protonation on the structure of 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8] dodecane (TATD) adamanzane: Crystal structure and DFT analysis of 3,6,8-triaza-1-azoniatricyclo[4.4.1.1^3,8]dodecane 4-nitrophenolate 4-nitrophenol

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

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

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

Crystal structure of rubidium and cesium tetrafluoroindate(III) dihydrates

Crystal structure of Na₃[TaO₈]·14H₂O

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

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

Crystal structure of the copper(II) complex with acetylacetone and ethylenediamine obtained by template synthesis

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

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

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

Structure of lanthanum(III) tris-dipivaloylmethanate

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

Crystal structure of 2-(2-morpholinoacetyl) hydrazinocarbothioamide

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