Cyclopolysilanes: structure, strain, and the form of the singly occupied molecular orbital in their radical anions

• Published in: Journal of the American Chemical Society Vol. 109; no. 22; pp. 6569 - 6577
• Main Authors: Grev, Roger S, Schaefer, Henry F
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 01.10.1987
• Subjects: Atomic and molecular physics; Electron correlation calculations for atoms and molecules; Electronic structure of atoms, molecules and their ions: theory; Exact sciences and technology; Physics; Substituent effect; Silicon heterocycle; Frontier orbital; Strain energy; Ab initio method; Theoretical study; Inorganic silane; Contracted gaussian orbital; Inorganic compound; Vibrational transition; Inorganic heterocycle; SCF method; Polarization function; Vibrational mode; Electron energy level; SD CI method; Conformation; Inorganic radical anion
• ISSN: 0002-7863; 1520-5126
• DOI: 10.1021/ja00256a001