1. Carl Djerassi, structural chemist turned author/playwright, has published a new autobiography, In Retrospect: From the Pill to the Pen

   • Istvan Hargittai

   Editorial 18 September 2014 Pages: 1597 - 1600

   

2. Theoretical study on the small carbon nano-ladders

   • Younes Valadbeigi
   • Hossein Farrokhpour

   Original Research 14 May 2014 Pages: 1601 - 1606

   

3. A density functional study of oxorhenium(V) complexes incorporating quinoline or isoquinoline carboxylic acids: structural, spectroscopic, and electronic properties

   • B. Machura
   • M. Wolff

   Original Research 20 May 2014 Pages: 1607 - 1623

   

4. Pressure-induced structure and properties of crystalline β-FOX-7 by LDA and GGA calculations

   • Fang Xiang
   • Qiong Wu
   • Heming Xiao

   Original Research 21 May 2014 Pages: 1625 - 1633

   

5. Quantum chemical study of the interaction between selenium analog of methimazole as an anti-thyroid drug and metal cations

   • Hossein Roohi
   • Mahjoubeh Jahantab
   • Minoo Rouhi

   Original Research 21 May 2014 Pages: 1635 - 1645

   

6. On the structure of Zn(II) and Cu(II) cyanin complexes in aqueous solution

   • Mercedes García Bugarín
   • Ricardo A. Mosquera

   Original Research 23 May 2014 Pages: 1647 - 1657

   

7. DFT, AIM, and NBO study of the interaction of simple and sulfur-doped graphenes with molecular halogens, CH₃OH, CH₃SH, H₂O, and H₂S

   • Hossein Tavakol
   • Akram Mollaei-Renani

   Original Research 23 May 2014 Pages: 1659 - 1667

   

8. Ab initio study of mechanism of cycloaddition reaction between H₂Ge = Ge: and acetone

   • Jingjing Ming
   • Yongqing Li
   • Xiuhui Lu

   Original Research 24 May 2014 Pages: 1669 - 1675

   

9. Molecular structure and conformations of 1-phenyl-1-silacyclohexane from gas-phase electron diffraction and quantum chemical calculations

   • Bagrat A. Shainyan
   • Svetlana V. Kirpichenko
   • Sergey A. Shlykov

   Original Research 27 May 2014 Pages: 1677 - 1685

   

10. Change of microstructure of polyimide thin films under the action of supercritical carbon dioxide and its influence on dielectric constant

    • I. A. Ronova
    • M. Bruma
    • N. G. Ryvkina

    Original Research 27 May 2014 Pages: 1687 - 1694

    

11. A first principle study of pristine and BN-doped graphyne family

    • Ngangbam Bedamani Singh
    • Barnali Bhattacharya
    • Utpal Sarkar

    Original Research 28 May 2014 Pages: 1695 - 1710

    

12. β-Nitroso-o-quinone methides: potent intermediates in organic chemistry and biology. The impact of the NO group on their structure and reactivity profile: a theoretical insight

    • Paweł Kozielewicz
    • Petros G. Tsoungas
    • Mire Zloh

    Original Research 31 May 2014 Pages: 1711 - 1723

    

13. First-principles DFT study of cyclic and acyclic nucleoside phosphonates

    • Vipin Kumar
    • Shyam Kishor
    • Lavanya M. Ramaniah

    Original Research 01 June 2014 Pages: 1725 - 1732

    

14. Impact of metal cation complexation and protonation on tautomeric and resonance forms of the oxaalkyl Schiff bases derived from 5-substituted salicylaldehyde and 2-hydroxy-1-naphthlaldehyde

    • Krystian Pyta
    • Piotr Przybylski
    • Bogumil Brzezinski

    Original Research 06 June 2014 Pages: 1733 - 1746

    

15. X-ray structural analysis and antitumor activity of new salicylic acid derivatives

    • Evgenija A. Djurendić
    • Olivera R. Klisurić
    • Katarina M. Penov-Gaši

    Original Research 06 June 2014 Pages: 1747 - 1758

    

16. Intramolecular H-transfer in CH₂OO and cis-HO₃

    • Younes Valadbeigi
    • Hossein Farrokhpour

    Original Research 10 June 2014 Pages: 1759 - 1763

    

17. NiO nanocone as a CO sensor: DFT investigation

    • V. Nagarajan
    • R. Chandiramouli

    Original Research 10 June 2014 Pages: 1765 - 1771

    

18. Mechanism and kinetics of the atmospheric degradation of perfluoropolymethylisopropyl ether by OH radical: a theoretical study

    • S. Ponnusamy
    • L. Sandhiya
    • K. Senthilkumar

    Original Research 10 June 2014 Pages: 1773 - 1783

    

19. A computational study of proton transfer and solvent effect on nitroamino[1,3,5]triazine-based ammonium energetic salts

    • Fang Wang
    • Qian Zhang
    • Ziyan Zhao

    Original Research 11 June 2014 Pages: 1785 - 1793

    

20. Energy requirements of the reactions of kaempferol and selected radical species in different media: towards the prediction of the possible radical scavenging mechanisms

    • Jasmina M. Dimitrić Marković
    • Dejan Milenković
    • Zoran S. Marković

    Original Research 11 June 2014 Pages: 1795 - 1804

    

21. Theoretical study on the isomerization and tautomerism in barbituric acid

    • Younes Valadbeigi
    • Hossein Farrokhpour
    • Mahmoud Tabrizchi

    Original Research 18 June 2014 Pages: 1805 - 1810

    

22. Diamondoids approach to electronic, structural, and vibrational properties of GeSi superlattice nanocrystals: a first-principles study

    • Mudar Ahmed Abdulsattar

    Original Research 19 June 2014 Pages: 1811 - 1818

    

23. Theoretical study of H⋯P and X⋯P interactions of methylphosphines with HSX molecules

    • Abedien Zabardasti
    • Hossein Afrouzi
    • Ali Kakanejadifard

    Original Research 19 June 2014 Pages: 1819 - 1829

    

24. Computational studies of the intermolecular interactions in dimers of the bowl-shaped sumanene molecule

    • A. A. S. Karunarathna
    • S. Saebo

    Original Research 26 June 2014 Pages: 1831 - 1836

    

25. Arene-fused 1,2-oxazole N-oxides and derivatives. The impact of the N–O dipole and substitution on their aromatic character and reactivity profile. Can it be a useful structure in synthesis? A theoretical insight

    • Paweł Kozielewicz
    • Demeter Tzeli
    • Mire Zloh

    Original Research 27 June 2014 Pages: 1837 - 1846

    

26. Correlations of limiting oxygen index with structural polyphosphoester features by QSPR approaches

    • Simona Funar-Timofei
    • Smaranda Iliescu
    • Takahiro Suzuki

    Original Research 22 July 2014 Pages: 1847 - 1863

    

27. Spin crossover in monoadducts of Co(Salen) with pyridine and imidazole: a quantum chemical study

    • A. G. Starikov
    • V. I. Minkin
    • A. A. Starikova

    Original Research 26 July 2014 Pages: 1865 - 1871

    

28. A theoretical study of the thermodynamic and hydrogen-bond basicity of TEMPO radical and related nitroxides

    • Ibon Alkorta
    • José Elguero

    Original Research 13 August 2014 Pages: 1873 - 1880

    

29. Interplay of thermochemistry and structural chemistry, the journal (volume 24, 2013, issues 5–6) and the discipline

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

    Review Article 29 October 2014 Pages: 1881 - 1894

30. Gregory S. Girolami and Alfred P. Sattelberger (Editors-in-Chief): Inorganic Syntheses, Volume 36

    • George B. Kauffman

    Book Review 11 September 2014 Pages: 1895 - 1896

31. Jan. C. A. Boeyens: The chemistry of matter waves

    • I. David Brown

    Book review 18 September 2014 Pages: 1897 - 1899

32. Erratum to: Naphthologs of overcrowded bistricyclic aromatic enes: (E)-bisbenzo[a]fluorenylidene

    • Naela Assadi
    • Sergey Pogodin
    • Israel Agranat

    Erratum 18 September 2014 Pages: 1901 - 1902