Naslov
Proton Affinities of Nitrogen Oxyradicals

Autori
Kazazić, Snježana P. ; Klasinc, Leo ; McGlynn, Sean P. ; Pryor, William A.

Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, sažetak, znanstveni

Izvornik
Booklet of Abstracts of ICTCP-IV / Capron, Nathalie - Pariz : International Society for Theoretical Chemical Physics, 2002

Skup
Fourth Congress of the International Society for Theoretical Chemical Physics (ICTCP-IV)

Mjesto i datum
Marly-le-Roi, Francuska, 09.07.2002. - 16.07.2002

Vrsta sudjelovanja
Poster

Vrsta recenzije
Međunarodna recenzija

Ključne riječi
trioxonitrate radical; cis- and trans-hydroxooxodinitrate radical; dioxodinitrate(1-) radical; proton affinity (G2) calculations; protonated nitrogen oxyradicals

Sažetak
The proton affinities (PA's) of nitric oxide and nitrogen dioxide have been calculated and compared with experiment. Those of the nitrate, cis- and trans-hydrogenhyponitrite and cis- and trans-dioxodinitrate radical have been calculated but, in the absence of direct experimental data, comparison had to be made with related anionic and protonated forms. All calculations were carried out by standard Gaussian-2 (G2) procedures.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

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