We employ ab initio calculations with PBEsol method to carry out the properties of the adsorption of CO on Pd(100)under an external electric field.The adsor
The nonlinear optical(NLO)studies of porphyrins(Cu,Zn,H2MHTP)and their covalently linked composites with graphene oxide(GO)have been studied by numerically
The speciation and mobility of actinide complexes in the environment depend strongly on ligand concentration.It is therefore important to understand the str