An improved two-parameter omega technique (itpot) for molecular orbital calculatlons

Bond lengths are calculated for tweive aromatic hydrocarbons by way of the ITPOT and a modified Coulson's equatlon. Comparlsons are made with respect to other theoretlcal results as well as with avallable experimental data. The predlctive capabiilties of the ITPOT and the modified Coulson'...

Full description

Autores:

Barbiric, Dora J.
Castro, Eduardo A.
Fernández, Francisco M.

Tipo de recurso:

Article of journal

Fecha de publicación:

1983

Institución:

Universidad Nacional de Colombia

Repositorio:

Universidad Nacional de Colombia

Idioma:

spa

OAI Identifier:

oai:repositorio.unal.edu.co:unal/24842

Acceso en línea:

https://repositorio.unal.edu.co/handle/unal/24842
http://bdigital.unal.edu.co/15879/

Palabra clave:

Longitudes
Hidrocarburos aromáticos
Técnica omega biparamétrica
Ecuación de Coulson

Rights

openAccess

License

Atribución-NoComercial 4.0 Internacional