5,8-Hihydroxyl-1,4-naphthazarin was taken as a model compound to explore the effect of halogen substitution on intramolecular proton transfer process. Calculati
The reactions of four different N-(O,O′-diisopropyl) phosphoamino acids (DIPP-aa),such as N-phosphoryl-L-α-alanine (DIPP- L-α-Ala),N-phosphoryl-D-α-alanine
Density functional theory periodic slab calculations were carried out for CO adsorption on a series of Mo modified Pt(111) surfaces to provide an insight into t