Ab initio study of the structure and electronic properties of magnesium and calcium nitrates and their crystal hydrates Yu. N. ZhuravlevD. 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. MadzhidovT. R. GimadievA. 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. MolaniM. 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. ZhangS.-Y. WuG.-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. YangY. FangS. 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. GüneşC. ParlakM. Şenyel OriginalPaper 15 September 2017 Pages: 684 - 693
Crystal structure and 121,123Sb NQR parameters of ammonium tridecafluorotetraantimonate(III) NH4Sb4F13 L. A. ZemnukhovaA. A. UdovenkoT. A. Babushkina OriginalPaper 15 September 2017 Pages: 694 - 699
Studies on the g-factors of the copper(II)–oxygen compounds G.-L. LiS.-Y. WuY.-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. KrasnykhS. V. Portnova OriginalPaper 15 September 2017 Pages: 706 - 711
To evaluation of the state of the own macroscopic force field of liquids V. N. KartsevS. N. ShtykovK. 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. AdoninI. D. GorokhV. P. Fedin OriginalPaper 15 September 2017 Pages: 718 - 723
Spectroscopic characterization and room-temperature structure of bis(4-aminopyridinium) dichromate R. Ben SmailH. ChebbiM. 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 SmailM. F. ZidA. Driss OriginalPaper 15 September 2017 Pages: 734 - 741
Crystal structure and spectroscopic properties of isothiocyanato[(3,14-dimethyl-2,6,13,17-tetraazatricyclo(16.4.0.07,12)docosane)]copper(II) thiocyanate M. A. SubhanS. W. NgJ.-H. Choi OriginalPaper 15 September 2017 Pages: 742 - 749
Two new cadmium(II) coordination polymers with bis(benzimidazole) ligands X.-B. LiuY.-Q. ZhaoG.-H. Cui OriginalPaper 15 September 2017 Pages: 750 - 757
Structure of a new chelate complex MO2O3(dpm)4 A. Yu. LednevaS. B. ArtemkinaV. 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. ZyuzinZ. G. AlievS. 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. NekrasovaS. V. Kurbatova OriginalPaper 15 September 2017 Pages: 767 - 774
Palladium-containing composite nanomaterials based on polycaprolactam: Formation and structure I. D. AkhmadovN. E. Mel′nikovaV. M. Akhmedov OriginalPaper 15 September 2017 Pages: 775 - 781
Topology of supramolecular structures in ethanol solutions A. M. TolmachevA. V. KlimovD. A. Firsov OriginalPaper 15 September 2017 Pages: 782 - 788
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 A. RiveraJ. M. UribeM. 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. ChenC.-F. WangH.-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. BorisovN. V. PervukhinaS. A. Magarill Brief Communications 15 September 2017 Pages: 809 - 812
Crystal structure of rubidium and cesium tetrafluoroindate(III) dihydrates R. L. DavidovichV. B. LogvinovaG. V. Shilov Brief Communications 15 September 2017 Pages: 813 - 816
Crystal structure of Na3[TaO8]·14H2O P. A. AbramovA. A. ShmakovaM. N. Sokolov Brief Communications 15 September 2017 Pages: 817 - 820
Crystal structure of potassium β-tetrafluoroantimonate(III) (β-KSbF4) A. A. UdovenkoL. A. ZemnukhovaN. 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. VinogradovaP. A. StabnikovYu. 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. MaharramovM. G. TsintsadzeF. M. Chyragov Brief Communications 15 September 2017 Pages: 828 - 830
New volatile zirconium(IV) complex with methoxy substituted β-diketonate V. V. KrisyukI. A. BaidinaI. 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. LappiYa. M. GayfulinYu. 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. NetrebaN. V. Somov Brief Communications 15 September 2017 Pages: 838 - 842
Structure of lanthanum(III) tris-dipivaloylmethanate Lu YuikhanS. A. MosyaginaN. 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. MulloevJ. YusupovaB. I. Makhsudov Brief Communications 15 September 2017 Pages: 847 - 849
Crystal structure of 2-(2-morpholinoacetyl) hydrazinocarbothioamide K. M. TurdybekovO. A. NurkenovA. S. Utegenova Brief Communications 15 September 2017 Pages: 850 - 851