Structural Chemistry author wins Nobel Prize Istvan Hargittai Editorial 27 October 2016 Pages: 565 - 566
Structural analysis and antitumor potential of novel 5,6-disubstituted-17a-homo-17-oxa-androstane derivatives Ivana KuzminacOlivera R. KlisurićMarija Sakač Original Research 10 August 2016 Pages: 567 - 576
Lanthanide contraction effect on the crystal structures of 2D lanthanide coordination polymers based on 2-(trifluoromethyl)-1H-imidazole-4,5-dicarboxylic acid Song-Liang CaiKai ZhangWei-Guang Zhang Original Research 12 August 2016 Pages: 577 - 586
Comparative study of NH···O and NH···S intramolecular hydrogen bonds in β-aminoacrolein, β-thioaminoacrolein and their halogenated derivatives by some usual methods Alireza NowrooziEhsan Masumian Original Research 22 August 2016 Pages: 587 - 596
Halodiazirines and halodiazo compounds: a computational study of their thermochemistry and isomerization reaction Luz A. ZapataSteffanía LópezRafael Notario Original Research 23 August 2016 Pages: 597 - 605
The unsubstituted ortho-amidino benzoic acid: crystal structure, characterization and pK a determination Olga V. HordiyenkoAngelina V. BiitsevaMikhail Yu. Kornilov Original Research 24 August 2016 Pages: 607 - 616
Field-induced π-polarization in barrelene derivatives: a computational study based on structural variation Anna Rita CampanelliAldo DomenicanoFabio Ramondo Original Research 27 August 2016 Pages: 617 - 624
Structure and dynamics of a free aquaporin (AQP1) by a coarse-grained Monte Carlo simulation R. B. PandeyB. L. Farmer Original Research 02 September 2016 Pages: 625 - 633
Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated? Karolina JagielloBartłomiej ChomiczTomasz Puzyn Original Research Open access 03 September 2016 Pages: 635 - 643
The effect of nitro groups on the structures and energetic properties of the derivatives composed of TATB and cubane Jian-ying ZhangXue-dong Gong Original Research 03 September 2016 Pages: 645 - 654
Theoretical kinetic investigation of thermal decomposition of nitropropane Rui WangLei LeiWen-liang Wang Review Article 07 September 2016 Pages: 655 - 666
Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme Anna DowierciałAdam JarmułaWojciech Rode Original Research Open access 09 September 2016 Pages: 667 - 674
A theoretical study on the efficiency and role of guanidines-based organic superbases on carbon dioxide utilization in quinazoline-2,4(1H, 3H)-diones synthesis Hossein Sabet-SarvestaniHossein EshghiMohammad Izadyar Original Research 15 September 2016 Pages: 675 - 686
The X−···benzohydrazide complexes: the interplay between anion-π and H-bond interactions Abolfazl AziziAli Ebrahimi Original Research 15 September 2016 Pages: 687 - 695
Structural systematics and conformational analyses of an isomer grid of nine tolyl-N-pyridinylcarbamates Pavle MocilacJohn F. Gallagher Original Research 23 September 2016 Pages: 697 - 708
Supramolecular solid-state structure, potential energy surfaces and evaluation of antiproliferative effect of 2-benzothiazolylhydrazone derivatives in vitro Robert KatavaSandra Kraljević PavelićGordana Pavlović Original Research 01 October 2016 Pages: 709 - 721
Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF5) functional group Junyi DuGuoxiong HuaJ. Derek Woollins Original Research 04 October 2016 Pages: 723 - 733
A DFT study on electronic and optical properties of aspirin-functionalized B12N12 fullerene-like nanocluster Esmail VessallyMehdi D. EsrafiliAhmadreza Bekhradnia Original Research 07 October 2016 Pages: 735 - 748
Effect of the species and number of heteroatom on the interaction energy and charge transfer between crown ether and alkali metal ions Gang SunXi-Xin DuanChun-Guang Liu Original Research 08 October 2016 Pages: 749 - 756
2-Methylthio-imidazolins: a rare case of different tautomeric forms in solid state and in solution Venelin EnchevNadezhda MarkovaDariusz Maciej Pisklak Original Research 14 October 2016 Pages: 757 - 772
Experimental and theoretical investigation of new furan and thiophene derivatives containing oxazole, isoxazole, or isothiazole subunits Pervin Ünal CivcirGülbin KurtayKübra Sarıkavak Original Research 14 November 2016 Pages: 773 - 790
Conformational analysis, energy profile, and structural-electronic properties evaluation of mephedrone derivatives employing quantum-mechanical models Wojciech KolodziejczykSupratik KarGlake A. Hill Original Research Open access 19 November 2016 Pages: 791 - 799
Carbamohydrazonothioate derivative—experimental and theoretical explorations of the crystal and molecular structure Barbara BankiewiczSławomir WojtulewskiAgnieszka Z. Wilczewska Original Research Open access 28 November 2016 Pages: 801 - 812
Conformational studies of new pseudotripeptide with pyrazine amidoxime motif and simplified analogs using IR, NMR spectroscopy, and molecular dynamic simulations Olga OvdiichukOlga HordiyenkoMarie-Christine Averlant-Petit Original Research 29 November 2016 Pages: 813 - 822
Carbene tetrel-bonded complexes Mingxiu LiuQingzhong LiJianbo Cheng Original Research 02 December 2016 Pages: 823 - 831
Statistical methods and molecular docking for the prediction of thyroid hormone receptor subtype binding affinity and selectivity Fangfang WangYonghui ShiGuowei Le Original Research 05 December 2016 Pages: 833 - 847
Molecular Modeling of Human CCR2 Receptor within POPC Lipid Bilayer Ahmad EbadiDara DastanNima Razzaghi-Asl Original Research 08 December 2016 Pages: 849 - 857
Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate Kinga RoszakAndrzej KatrusiakMirosław Szafran Original Research Open access 08 December 2016 Pages: 859 - 865
Interaction of the divalent lead cation with cyclosporin A: an experimental and theoretical study Emanuel MakrlíkStanislav BöhmPetr Vaňura Original Research 16 January 2016 Pages: 867 - 871
Contribution to cation–π interaction of the univalent silver cation with racemic [7]helicene in the solid state Blanka KlepetářováEmanuel MakrlíkJan Storch Original Research 13 October 2015 Pages: 873 - 877
Interplay of thermochemistry and Structural Chemistry, the journal (volume 26, 2015, issue 5) and the discipline Maja Ponikvar-SvetDiana N. ZeigerJoel F. Liebman Review Article 21 November 2016 Pages: 879 - 887
Interplay of thermochemistry and Structural Chemistry, the journal (volume 27, 2016, issues 1-2) and the discipline Maja Ponikvar-SvetDiana N. ZeigerJoel F. Liebman Review Article 30 March 2017 Pages: 889 - 899