Proton Affinities of Nitrogen Oxyradicals (CROSBI ID 488970)
Prilog sa skupa u zborniku | sažetak izlaganja sa skupa | međunarodna recenzija
Podaci o odgovornosti
Kazazić, Snježana P. ; Klasinc, Leo ; McGlynn, Sean P. ; Pryor, William A.
engleski
Proton Affinities of Nitrogen Oxyradicals
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.
trioxonitrate radical; cis- and trans-hydroxooxodinitrate radical; dioxodinitrate(1-) radical; proton affinity (G2) calculations; protonated nitrogen oxyradicals
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Podaci o prilogu
2002.
objavljeno
Podaci o matičnoj publikaciji
Booklet of Abstracts of ICTCP-IV
Capron, Nathalie
Pariz: International Society for Theoretical Chemical Physics
Podaci o skupu
Fourth Congress of the International Society for Theoretical Chemical Physics (ICTCP-IV)
poster
09.07.2002-16.07.2002
Marly-le-Roi, Francuska