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The hydroperoxy radical and its closed-shell,analoques,: ab initio investigations.

Autorzy

Andrzej Bil

Zdzisław Latajka

Rok wydania

2004

Czasopismo

Chemical Physics Letters

Numer woluminu

388

Strony

158-163

DOI

10.1016/j.cplett.2004.02.079

Kolekcja

Naukowa

Język

Angielski

Typ publikacji

Artykuł

Streszczenie

This Letter analyses the properties of the HOO radical as well as the HOF and the HOOH molecule. The geometry optimization was performed as well as the simulation of harmonic and anharmonic IR spectra. Some important differences that could be crucial to the proton-donor and proton-acceptor properties of these molecules were found.

Adres publiczny

https://doi.org/10.1016/j.cplett.2004.02.079

Strona internetowa wydawcy

http://www.elsevier.com

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