PaperAll electron versus pseudopotentials in ab initio chemisorption cluster model calculationsFrancesc Illas, Paul S. BagusThe Journal of Chemical Physics
PaperMeasures of ionicity of alkaline-earth oxides from the analysis of ab initio cluster wave functionsGianfranco Pacchioni, Carmen Sousa, et al.Physical Review B
PaperCluster calculations of CO chemisorbed on the bridge site of Pd(100)Gianfranco Pacchioni, Paul S. BagusThe Journal of Chemical Physics
PaperNiNO. A model for NO on a metal surfaceCharles W. Bauschlicher Jr., Paul S. BagusThe Journal of Chemical Physics