Design of rigid donor-acceptor systems with a low-lying charge-transfer state: an INDO model study of barrelene-based compounds

• Published in: Journal of physical chemistry (1952) 1993-11, Vol.97 (44), p.11420-11426
• Main Authors: Fox, Thomas, Kotzian, Manfred, Roesch, Notker
• Format: Article
• Language: English
• Subjects: Atomic and molecular physics; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); Effects of atomic and molecular interactions on electronic structure; Electronic structure of atoms, molecules and their ions: theory; Environmental and solvent effects; Exact sciences and technology; Physics; Semi-empirical and empirical calculations (differential overlap, hückel, ppp methods, etc.); Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models)
• ISSN: 0022-3654; 1541-5740
• DOI: 10.1021/j100146a014