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Peroxynitrous acid conformers

FIGURE 3. The geometry of the lowest-energy cis,cis) conformation of peroxynitrous acid calculated at B3LYP/6-31H-G(3df,2p), QCISD/6-31G (bold numbers), CISD/6-31G (in parentheses), B3LYP/6-311G (in square brackets) and MP2(fuU)/6-31G (in curly brackets) computational levels... [Pg.15]

The electronic structure has been studied for four halogen nitrites XONO (X01N02, X = F, Cl, Br, 1) and peroxynitrous acid, HOONO (H001N02). For the XONO molecules, two conformers with syn and anti orientation of the X-0 bond in respect to the terminal N=0 bond have been found. For the HOONO molecule, three conformers have been investigated syn-syn, syn-perp and anti-perp. [Pg.538]

See other pages where Peroxynitrous acid conformers is mentioned: [Pg.11]    [Pg.13]    [Pg.1481]    [Pg.40]    [Pg.50]    [Pg.60]    [Pg.60]    [Pg.10]    [Pg.11]    [Pg.13]    [Pg.303]    [Pg.912]   
See also in sourсe #XX -- [ Pg.8 ]



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Conformation peroxynitrous acid

Conformation peroxynitrous acid

Peroxynitrate

Peroxynitrates

Peroxynitric acid

Peroxynitrous acid

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