Spin–orbit DFT with analytic gradients and applications to heavy element compounds Zhiyong Zhang Regular Article 25 October 2014 Article: 1588
Noncovalent interactions in dimers and trimers of SO3 and CO Luis Miguel AzofraIbon AlkortaSteve Scheiner Regular Article 22 October 2014 Article: 1586
Iron carbonyl thioboronyls: effect of substitution of sulfur for oxygen in the viability of binuclear complexes toward dissociation reactions Xiaoli GongLiyao ZhuR. Bruce King Regular Article 14 October 2014 Article: 1585
A local topological view of pressure-induced polymorphs in SiO2 A. Morales-GarcíaM. MarquésJ. M. Recio Regular Article 24 October 2014 Article: 1578
Effect of confinement on the structure and energetics of Zundel cation present inside the hydrophobic carbon nanotubes: an ab initio study Manoj K. TripathyNaresh K. JenaK. R. S. Chandrakumar Regular Article 21 October 2014 Article: 1576