Validity of the weighted HOMO-LUMO energy separation as an index of kinetic stability for fullerenes with up to 120 carbon atoms

• Published in: Physical chemistry chemical physics : PCCP 1999-01, Vol.1 (2), p.227-230
• Main Authors: YOSHIDA, M, AIHARA, J.-I
• Format: Article
• Language: English
• Subjects: Atomic and molecular physics; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); Electronic structure of atoms, molecules and their ions: theory; 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: 1463-9076; 1463-9084
• DOI: 10.1039/a807917j