1. On the electronic structure of the diazomethane molecule

   • André G. H. Barbosa
   • João G. S. Monteiro

   Regular Article 21 November 2012 Article: 1297

   

2. A computational study toward understanding the separation of ions of potassium chloride microcrystal in water

   • Anik Sen
   • Bishwajit Ganguly

   Regular Article 09 November 2012 Article: 1296

   

3. Singlet oxygen generation versus O–O homolysis in phenyl-substituted anthracene endoperoxides investigated by RASPT2, CASPT2, CC2, and TD-DFT methods

   • Stephan Kupfer
   • Guillermo Pérez-Hernández
   • Leticia González

   Regular Article 13 November 2012 Article: 1295

   

4. A DFT and Natural Resonance Theory investigation of the electronic structure of mesoionic compounds

   • Italo C. Anjos
   • Mário L. A. A. Vasconcellos
   • Gerd B. Rocha

   Regular Article 11 November 2012 Article: 1294

   

5. Semimicroscopic investigation of active site pK _a values in peptidylarginine deiminase 4

   • Ruthanne S. McCoy
   • Sonja B. Braun-Sand

   Regular Article 09 November 2012 Article: 1293

   

6. Prechemistry barriers and checkpoints do not contribute to fidelity and catalysis as long as they are not rate limiting

   • B. Ram Prasad
   • S. C. L. Kamerlin
   • Arieh Warshel

   Regular Article 23 November 2012 Article: 1288

   

7. Perspective: pre-chemistry conformational changes in DNA polymerase mechanisms

   • Tamar Schlick
   • Karunesh Arora
   • Samuel H. Wilson

   Regular Article 23 November 2012 Article: 1287

   

8. Enzyme dynamics and catalysis in the mechanism of DNA polymerase

   • Adrian J. Mulholland
   • Adrian E. Roitberg
   • Iñaki Tuñón

   Regular Article 23 November 2012 Article: 1286

   

9. Erratum to: Computational ¹⁹F NMR. 1. General features

   • Giacomo Saielli
   • Riccardo Bini
   • Alessandro Bagno

   Erratum 13 November 2012 Article: 1283