1. Reaction mechanism on the activation of ethane C–H and C–C bonds by a diplatinum cluster

   • Ting-Yong Ju
   • Hua-Qing Yang
   • Chang-Wei Hu

   Regular Article 01 August 2013 Article: 1387

2. Transport properties of nanowires with alternating organosilanylene and oligoethenylene units

   • G. L. Zhang
   • L. Pei
   • B. Liu

   Regular Article 30 July 2013 Article: 1386

   

3. QM/MM study of the conversion mechanism of lysine to methylornithine catalyzed by methylornithine synthase (PylB)

   • Wenyou Zhu
   • Yongjun Liu
   • Rui Zhang

   Regular Article 26 July 2013 Article: 1385

   

4. Nonlinear optical properties of DPO and DMPO: a theoretical and computational study

   • Alejandro J. Garza
   • Osman Ibrahim Osman
   • Abdullah Mohamed Asiri

   Regular Article 30 July 2013 Article: 1384

   

5. DFT insight into o-semiquinone radicals and Ca²⁺ ion interaction: structure, g tensor, and stability

   • Maciej Witwicki
   • Julia Jezierska

   Regular Article Open access 30 July 2013 Article: 1383

   

6. Depletion of atmospheric ozone by nitrogen dioxide: a bifurcated reaction pathway

   • L. Sandhiya
   • P. Kolandaivel
   • K. Senthilkumar

   Regular Article 24 July 2013 Article: 1382

   

7. Ab initio molecular dynamics studies on the growth of ammonium chloride clusters

   • Jianbo Zhao
   • Jian-Guo Yu
   • Ruo-Zhuang Liu

   Regular Article 20 July 2013 Article: 1381

   

8. The influence of molecular solid packings on the photoluminescence and carrier transport properties for two bow-shaped thiophene compounds: a theoretical study

   • Shuang-Yang Yang
   • Liang Zhao
   • Zhong-Min Su

   Regular Article 23 July 2013 Article: 1377