Cultural advice

The Australian National University acknowledges, celebrates and pays our respects to the Ngunnawal and Ngambri people of the Canberra region and to all First Nations Australians on whose traditional lands we meet and work, and whose cultures are among the oldest continuing cultures in human history.

Aboriginal and Torres Strait Islander peoples are advised that ANU Library collections may include images, names, voices, and other representations of deceased persons.

Material in the collection may contain terms, language or views that reflect the period in which the item was created and may be considered inappropriate today.

Reliable Theoretical Procedures for Calculating the Rate of Methyl Radical Addition to Carbon-Carbon Double and Triple Bonds

Date

2004

Authors

Gomez-Balderas, Rodolfo
Coote, Michelle
Henry, David
Radom, Leo

Journal Title

Journal ISSN

Volume Title

Publisher

American Chemical Society

Abstract

Geometries, frequency factors, barriers, and reaction enthalpies have been calculated at a variety of levels of theory for methyl radical addition to CH2=CH2, CH2=CHCH3, CH≡CH and CH≡CCH3, with a view to selecting reliable computational procedures for

Description

Keywords

Keywords: Addition reactions; Approximation theory; Chemical bonds; Computational methods; Enthalpy; Methanol; Carbon double bonds; Carbon triple bonds; Radical addition; Reaction enthalpies; Free radicals

Citation

URI

http://hdl.handle.net/1885/86388

Collections

ANU Research Publications

Source

Journal of Physical Chemistry A

Type

Journal article

Book Title

Entity type

Access Statement

License Rights

DOI

10.1021/jp036375z

Restricted until

2037-12-31

Downloads

File
Description
01_Gomez-Balderas_Reliable_Theoretical_2004.pdf (86.92 KB)

DSpace software copyright © 2002-2026 LYRASIS