Molecular and electronic structure of pyracylene

• Published in: Journal of the American Chemical Society Vol. 112; no. 2; pp. 738 - 744
• Main Authors: Freiermuth, Beat, Gerber, Stefan, Riesen, Andreas, Wirz, Jakob, Zehnder, Margareta
• Format: Journal Article
• Language: English
• Published: Washington, DC American Chemical Society 1990
• 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.); Chemical solution; Unsaturated cyclic compound; Hydrocarbon; Frontier orbital; Photoelectron spectrum; Theoretical study; Rigid solvent; Experimental study; Pariser Parr Pople method; Ultraviolet radiation; SCF method; Dichroism; Aromatic compound; Electronic transition; Organic compounds; Conformation; Crystalline structure
• ISSN: 0002-7863; 1520-5126
• DOI: 10.1021/ja00158a037