Theoretical Characterization of Hydrogen Polyoxides: HOOH, HOOOH, HOOOOH, and HOOO

We have investigated the polyoxides HOOH, HOOOH, HOOOOH, and HOOO employing the CCSD(T) methodology, and the correlation consistent basis sets. For all molecules, we have computed fundamental vibrational frequencies, structural parameters, rotational constants, and rotation-vibration corrections. Fo...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2009-01, Vol.113 (2), p.499-506
Hauptverfasser:	Denis, Pablo A, Ornellas, Fernando R
Format:	Artikel
Sprache:	eng
Schlagworte:	A: Molecular Structure, Quantum Chemistry, General Theory
Online-Zugang:	Volltext
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