1. Graphene 2010

   • István Hargittai

   Editorial 17 November 2010 Pages: 1151 - 1154

   

2. Remarkable diversity of carbon–carbon bonds: structures and properties of fullerenes, carbon nanotubes, and graphene

   • T. C. Dinadayalane
   • Jerzy Leszczynski

   Review Article 09 November 2010 Pages: 1155 - 1169

   

3. Molecularly imprinted polymers for detection of explosives: computational study on molecular interactions of 2,6-dinitrotoluene and methacrylic acid complex

   • Julia Saloni
   • Samuel S. R. Dasary
   • Glake Hill Jr.

   Original Research 18 September 2010 Pages: 1171 - 1184

   

4. Theoretical study of hyaluronan oligosaccharides

   • Péter Pogány
   • Attila Kovács

   Original Research 23 September 2010 Pages: 1185 - 1194

   

5. Three isostructural 3D supramolecules with p-thioacetatebenzoic acid ligand: syntheses, structure characterizations, and properties

   • Cai-Hong Zhan
   • Xiao-Juan Wang
   • Yun-Long Feng

   Original Research 23 September 2010 Pages: 1195 - 1201

   

6. NMR elucidation of novel SQ109 derivatives

   • Oluseye K. Onajole
   • Patrick Govender
   • Hendrik G. Kruger

   Original Research 09 October 2010 Pages: 1203 - 1209

   

7. Paradigms and paradoxes: the conformation of the fundamental unit of hyaluronic acid

   • Zoltán Varga
   • István Hargittai

   Original Research 16 October 2010 Pages: 1211 - 1214

   

8. The influence of solvent and ligands on characters of ZnS clusters

   • Chunlei Wang
   • Shuhong Xu
   • Yiping Cui

   Review Article 17 October 2010 Pages: 1215 - 1219

   

9. A theoretical study of the structure and aromaticity of nitrogen-containing thiocarbon

   • Wen-Xiu Gu
   • Li-Juan Xing
   • Zhi-Xiang Song

   Original Research 21 October 2010 Pages: 1221 - 1226

   

10. N-Alkoxy-3,5-dinitro-4-aminobenzoic acid derivatives with controlled physico-chemical properties

    • Madalina Tudose
    • Florin D. Badea
    • Alexandru T. Balaban

    Original Research 21 October 2010 Pages: 1227 - 1234

    

11. Investigation of correlation between impact sensitivities and bond dissociation energies in some triazole energetic compounds

    • Zhao Jun
    • Xu Da-hai
    • Cheng Xin-lu

    Original Research 24 October 2010 Pages: 1235 - 1240

    

12. Quantitative structure–property relationship studies of gas-to-wet butyl acetate partition coefficient of some organic compounds using genetic algorithm and artificial neural network

    • Hassan Golmohammadi
    • Zahra Dashtbozorgi

    Original Research 03 November 2010 Pages: 1241 - 1252

    

13. Density functional theory investigation on the electronic structure of furo[3,4-b]pyridine-type heterocyclics: from monomer to polymer

    • Pansheng Ou
    • Wei Shen
    • Ming Li

    Original Research 07 November 2010 Pages: 1253 - 1261

    

14. Theoretical study on a new kind of thienyl-functionalized polysilane

    • Yunqiao Ding
    • Shengyu Feng
    • Yuanzhi Yue

    Original Research 09 November 2010 Pages: 1263 - 1271

    

15. Mesomeric effect on the structural and electronic properties of 4-(2-tert-butyl-4-methylphenoxy)phthalonitrile

    • Hasan Karabıyık
    • Ayşen Alaman Ağar
    • Nazan Ocak İskeleli

    Original Research 09 November 2010 Pages: 1273 - 1281

    

16. DFT studies on tautomeric preferences of 1-(pyridin-2-yl)-4-(quinolin-2-yl)butane-2,3-dione in the gas phase and in solution

    • Robert Dobosz
    • Ryszard Gawinecki
    • Borys Ośmiałowski

    Original Research Open access 09 November 2010 Pages: 1283 - 1287

17. From Democritus to Schrödinger: a reflection on quantum molecular modeling

    • Dan Vasilescu
    • Martine Adrian-Scotto

    Review Article 09 November 2010 Pages: 1289 - 1314

    

18. Andreas Karachalios, Erich Hückel (1896–1980): From Physics to Quantum Chemistry

    • Istvan Hargittai

    Book Review 26 November 2010 Pages: 1315 - 1318