All-electron scalar relativistic basis sets for the 6p elements Dimitrios A. PantazisFrank Neese Regular Article 31 October 2012 Article: 1292
Effects of microhydration on the characteristics of cation–phenol complexes Alba Campo-CacharrónEnrique M. Cabaleiro-LagoJesús Rodríguez-Otero Regular Article 03 November 2012 Article: 1290
Time-dependent density functional theory study of charge transfer in collisions Guillermo Avendaño-FrancoBernard PirauxXavier Gonze Regular Article 17 October 2012 Article: 1289
Second-order Brillouin-Wigner perturbation theory: size-extensivity correction Hüseyin Aksu Regular Article 23 October 2012 Article: 1285
Implementation in the Pyvib2 program of the localized mode method and application to a helicene Vincent LiégeoisBenoît Champagne Regular Article 27 October 2012 Article: 1284
On the spectral intensities of vibrational transitions in polyatomic molecules: role of electrical and mechanical anharmonicities Subrata BanikM. Durga Prasad Regular Article 26 October 2012 Article: 1282