On the Nature of the Low-Lying Singlet States of 4-(Dimethyl-amino)benzonitrile - Köhn, Andreas; Hättig, Christof (Journal of the American Chemical Society, 2004)
Keywords: Atomic and molecular physics; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); Coupled cluster theory; Electronic structure of atoms, molecules and their ions: theory; Exact sciences and technology; Physics; Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models); CAS SCF method; Electronic structure; Electronically excited state; Theoretical study; Benzonitrile derivatives; Benzenic compound; Electron charge distribution; Electron delocalization; Ab initio calculations; Coupled cluster method; Intramolecular charge transfer; Organic compounds