Orbital topology. III. Orbital mapping of unsymmetrical molecules. A survey of the thermal ring opening of isoelectronically substituted cyclobutenes and benzocyclobutenes

Orbital mapping analysis based on CNDO/2 molecular orbitals has been used to survey the thermal ring‐opening isomerizations of cyclobutenes and benzocyclobutenes. Isoelectronic substitutions within the molecular framework of cyclobutene (e.g., CH2 replaced by CH−, OH+, NH, NH2+) result in ground‐sta...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	Journal of computational chemistry 1982-09, Vol.3 (3), p.436-444
1. Verfasser:	Kelsey, Donald R.
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!