
How similar is the electronic structures of β-lactam and alanine?
Keywords: LUMO، کمترین مدول مولکولی بی نظیر; HOMO, heighest occupied molecular orbitals; LOVOs, lowest occupied valence orbitals; LUMO, lowest unoccupied molecular orbital; CI, configuration interaction; IPs, ionization potentials; XPS, x-ray photoemission spectroscopy; QH, Hirshfeld charges; SAOP,