1. George A. Olah (1927–2017)

   • Istvan Hargittai
   • Balazs Hargittai

   OBITUARY 10 April 2017 Pages: 563 - 564

   

2. Structural Chemistry author wins Nobel Prize

   • Istvan Hargittai

   Editorial 27 October 2016 Pages: 565 - 566

   

3. Structural analysis and antitumor potential of novel 5,6-disubstituted-17a-homo-17-oxa-androstane derivatives

   • Ivana Kuzminac
   • Olivera R. Klisurić
   • Marija Sakač

   Original Research 10 August 2016 Pages: 567 - 576

   

4. Lanthanide contraction effect on the crystal structures of 2D lanthanide coordination polymers based on 2-(trifluoromethyl)-1H-imidazole-4,5-dicarboxylic acid

   • Song-Liang Cai
   • Kai Zhang
   • Wei-Guang Zhang

   Original Research 12 August 2016 Pages: 577 - 586

   

5. 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 Nowroozi
   • Ehsan Masumian

   Original Research 22 August 2016 Pages: 587 - 596

6. Halodiazirines and halodiazo compounds: a computational study of their thermochemistry and isomerization reaction

   • Luz A. Zapata
   • Steffanía López
   • Rafael Notario

   Original Research 23 August 2016 Pages: 597 - 605

   

7. The unsubstituted ortho-amidino benzoic acid: crystal structure, characterization and pK _a determination

   • Olga V. Hordiyenko
   • Angelina V. Biitseva
   • Mikhail Yu. Kornilov

   Original Research 24 August 2016 Pages: 607 - 616

   

8. Field-induced π-polarization in barrelene derivatives: a computational study based on structural variation

   • Anna Rita Campanelli
   • Aldo Domenicano
   • Fabio Ramondo

   Original Research 27 August 2016 Pages: 617 - 624

   

9. Structure and dynamics of a free aquaporin (AQP1) by a coarse-grained Monte Carlo simulation

   • R. B. Pandey
   • B. L. Farmer

   Original Research 02 September 2016 Pages: 625 - 633

   

10. Size-dependent electronic properties of nanomaterials: How this novel class of nanodescriptors supposed to be calculated?

    • Karolina Jagiello
    • Bartłomiej Chomicz
    • Tomasz Puzyn

    Original Research Open access 03 September 2016 Pages: 635 - 643

    

11. The effect of nitro groups on the structures and energetic properties of the derivatives composed of TATB and cubane

    • Jian-ying Zhang
    • Xue-dong Gong

    Original Research 03 September 2016 Pages: 645 - 654

    

12. Theoretical kinetic investigation of thermal decomposition of nitropropane

    • Rui Wang
    • Lei Lei
    • Wen-liang Wang

    Review Article 07 September 2016 Pages: 655 - 666

    

13. Mouse thymidylate synthase does not show the inactive conformation, observed for the human enzyme

    • Anna Dowierciał
    • Adam Jarmuła
    • Wojciech Rode

    Original Research Open access 09 September 2016 Pages: 667 - 674

    

14. 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-Sarvestani
    • Hossein Eshghi
    • Mohammad Izadyar

    Original Research 15 September 2016 Pages: 675 - 686

    

15. The X⁻···benzohydrazide complexes: the interplay between anion-π and H-bond interactions

    • Abolfazl Azizi
    • Ali Ebrahimi

    Original Research 15 September 2016 Pages: 687 - 695

    

16. Structural systematics and conformational analyses of an isomer grid of nine tolyl-N-pyridinylcarbamates

    • Pavle Mocilac
    • John F. Gallagher

    Original Research 23 September 2016 Pages: 697 - 708

    

17. Supramolecular solid-state structure, potential energy surfaces and evaluation of antiproliferative effect of 2-benzothiazolylhydrazone derivatives in vitro

    • Robert Katava
    • Sandra Kraljević Pavelić
    • Gordana Pavlović

    Original Research 01 October 2016 Pages: 709 - 721

    

18. Single crystal X-ray structural features of aromatic compounds having a pentafluorosulfuranyl (SF₅) functional group

    • Junyi Du
    • Guoxiong Hua
    • J. Derek Woollins

    Original Research 04 October 2016 Pages: 723 - 733

    

19. A DFT study on electronic and optical properties of aspirin-functionalized B₁₂N₁₂ fullerene-like nanocluster

    • Esmail Vessally
    • Mehdi D. Esrafili
    • Ahmadreza Bekhradnia

    Original Research 07 October 2016 Pages: 735 - 748

    

20. Effect of the species and number of heteroatom on the interaction energy and charge transfer between crown ether and alkali metal ions

    • Gang Sun
    • Xi-Xin Duan
    • Chun-Guang Liu

    Original Research 08 October 2016 Pages: 749 - 756

    

21. 2-Methylthio-imidazolins: a rare case of different tautomeric forms in solid state and in solution

    • Venelin Enchev
    • Nadezhda Markova
    • Dariusz Maciej Pisklak

    Original Research 14 October 2016 Pages: 757 - 772

    

22. Experimental and theoretical investigation of new furan and thiophene derivatives containing oxazole, isoxazole, or isothiazole subunits

    • Pervin Ünal Civcir
    • Gülbin Kurtay
    • Kübra Sarıkavak

    Original Research 14 November 2016 Pages: 773 - 790

    

23. Conformational analysis, energy profile, and structural-electronic properties evaluation of mephedrone derivatives employing quantum-mechanical models

    • Wojciech Kolodziejczyk
    • Supratik Kar
    • Glake A. Hill

    Original Research Open access 19 November 2016 Pages: 791 - 799

    

24. Carbamohydrazonothioate derivative—experimental and theoretical explorations of the crystal and molecular structure

    • Barbara Bankiewicz
    • Sławomir Wojtulewski
    • Agnieszka Z. Wilczewska

    Original Research Open access 28 November 2016 Pages: 801 - 812

    

25. Conformational studies of new pseudotripeptide with pyrazine amidoxime motif and simplified analogs using IR, NMR spectroscopy, and molecular dynamic simulations

    • Olga Ovdiichuk
    • Olga Hordiyenko
    • Marie-Christine Averlant-Petit

    Original Research 29 November 2016 Pages: 813 - 822

    

26. Carbene tetrel-bonded complexes

    • Mingxiu Liu
    • Qingzhong Li
    • Jianbo Cheng

    Original Research 02 December 2016 Pages: 823 - 831

    

27. Statistical methods and molecular docking for the prediction of thyroid hormone receptor subtype binding affinity and selectivity

    • Fangfang Wang
    • Yonghui Shi
    • Guowei Le

    Original Research 05 December 2016 Pages: 833 - 847

    

28. Molecular Modeling of Human CCR2 Receptor within POPC Lipid Bilayer

    • Ahmad Ebadi
    • Dara Dastan
    • Nima Razzaghi-Asl

    Original Research 08 December 2016 Pages: 849 - 857

    

29. Conformational flexibility and pseudosymmetric aggregation in a betainium salt hydrate

    • Kinga Roszak
    • Andrzej Katrusiak
    • Mirosław Szafran

    Original Research Open access 08 December 2016 Pages: 859 - 865

    

30. Interaction of the divalent lead cation with cyclosporin A: an experimental and theoretical study

    • Emanuel Makrlík
    • Stanislav Böhm
    • Petr Vaňura

    Original Research 16 January 2016 Pages: 867 - 871

    

31. Contribution to cation–π interaction of the univalent silver cation with racemic [7]helicene in the solid state

    • Blanka Klepetářová
    • Emanuel Makrlík
    • Jan Storch

    Original Research 13 October 2015 Pages: 873 - 877

    

32. Interplay of thermochemistry and Structural Chemistry, the journal (volume 26, 2015, issue 5) and the discipline

    • Maja Ponikvar-Svet
    • Diana N. Zeiger
    • Joel F. Liebman

    Review Article 21 November 2016 Pages: 879 - 887

33. Interplay of thermochemistry and Structural Chemistry, the journal (volume 27, 2016, issues 1-2) and the discipline

    • Maja Ponikvar-Svet
    • Diana N. Zeiger
    • Joel F. Liebman

    Review Article 30 March 2017 Pages: 889 - 899