This is a preview. Log in through your library . Abstract When the molecular orbital wave function is taken as a single determinant it is not possible to construct localized orbitals for the mobile ...

Single-atom catalysts (SACs) comprise individual metal atoms—such as palladium (Pd), or platinum (Pt)—anchored on a high-surface-area solid support, which both isolates the metal and influences its ...

The disagreements between calculations of the benzene energy states by the method of antisymmetric molecular orbitals (A.S.M.O.) and by the augmented valence-bond theory given in previous papers ...

Electron orbitals show where and how electrons move around atomic nuclei and molecules. In modern chemistry and physics, they have proven to be a useful model for quantum mechanical description and ...

Single-atom catalysts (SACs), with their excellent metal atom utilization and unique physicochemical properties, hold promise for broad applications, especially in heterogeneous catalysis and energy ...