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  Comment on: ‘Theory of the photodissociation of ozone in the Hartley continuum; effect of vibrational excitation and O(1D) atom velocity disribution.’

Schinke, R., & Grebenshchikov, S. Y. (2007). Comment on: ‘Theory of the photodissociation of ozone in the Hartley continuum; effect of vibrational excitation and O(1D) atom velocity disribution.’. Physical Chemistry Chemical Physics, 9, 4026-4029. doi:10.1039/b706130g.

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 Urheber:
Schinke, Reinhard1, Autor           
Grebenshchikov, Sergej Yuri2, Autor
Affiliations:
1Max Planck Institute for Dynamics and Self-Organization, Max Planck Society, ou_2063285              
2Max Planck Society, ou_persistent13              

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 Zusammenfassung: In this Comment we present quantum mechanical absorption spectra of the Hartley band originating from the four vibrationally excited levels of the ground electronic state. The calculations are performed using the diabatic B-state potential energy surface and the transition dipole moment vector constructed from the ab initio data of the title paper. The calculated spectra are multimodal (for the symmetric stretch pre-excitation) and strongly structured (for the symmetric stretch and bending pre-excitations). These results agree with the previous theoretical analysis and with the predictions of a simple model based on the reflection principle, but contradict the findings of Baloïtcha amd Balint-Kurti thus questioning the accuracy of their calculations.

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Sprache(n): eng - English
 Datum: 2007-06-15
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: Expertenbegutachtung
 Identifikatoren: eDoc: 350949
DOI: 10.1039/b706130g
 Art des Abschluß: -

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Titel: Physical Chemistry Chemical Physics
  Alternativer Titel : Phys. Chem. Chem. Phys.
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: -
Seiten: - Band / Heft: 9 Artikelnummer: - Start- / Endseite: 4026 - 4029 Identifikator: -