On the electronic structure of the diazomethane molecule André G. H. BarbosaJoão G. S. Monteiro Regular Article 21 November 2012 Article: 1297
A computational study toward understanding the separation of ions of potassium chloride microcrystal in water Anik SenBishwajit Ganguly Regular Article 09 November 2012 Article: 1296
Singlet oxygen generation versus O–O homolysis in phenyl-substituted anthracene endoperoxides investigated by RASPT2, CASPT2, CC2, and TD-DFT methods Stephan KupferGuillermo Pérez-HernándezLeticia González Regular Article 13 November 2012 Article: 1295
A DFT and Natural Resonance Theory investigation of the electronic structure of mesoionic compounds Italo C. AnjosMário L. A. A. VasconcellosGerd B. Rocha Regular Article 11 November 2012 Article: 1294
Semimicroscopic investigation of active site pK a values in peptidylarginine deiminase 4 Ruthanne S. McCoySonja B. Braun-Sand Regular Article 09 November 2012 Article: 1293
Prechemistry barriers and checkpoints do not contribute to fidelity and catalysis as long as they are not rate limiting B. Ram PrasadS. C. L. KamerlinArieh Warshel Regular Article 23 November 2012 Article: 1288
Perspective: pre-chemistry conformational changes in DNA polymerase mechanisms Tamar SchlickKarunesh AroraSamuel H. Wilson Regular Article 23 November 2012 Article: 1287
Enzyme dynamics and catalysis in the mechanism of DNA polymerase Adrian J. MulhollandAdrian E. RoitbergIñaki Tuñón Regular Article 23 November 2012 Article: 1286
Erratum to: Computational 19F NMR. 1. General features Giacomo SaielliRiccardo BiniAlessandro Bagno Erratum 13 November 2012 Article: 1283