Structure and electronic spectra of the (ProQuest: Formulae and/or non-USASCII text omitted)

Structure and electronic spectra of the (ProQuest: Formulae and/or non-USASCII text omitted)

Ab initio calculations are employed for determining structures, spectroscopic parameters and transitions to the excited electronic states of the astrophysical relevant (ProQuest: Formulae and/or non-USASCII text omitted) anion, which is a potential intermediate of chemical processes involving carbon...

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Veröffentlicht in:Monthly notices of the Royal Astronomical Society 2012-08, Vol.424 (2), p.1224
Hauptverfasser: Hammoutene, D, Hochlaf, M, Senent, M. L
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Sprache:eng
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Astronomy
Astrophysics
Polycyclic aromatic hydrocarbons
Spectrum analysis
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container_title Monthly notices of the Royal Astronomical Society
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creator Hammoutene, D
Hochlaf, M
Senent, M. L
description Ab initio calculations are employed for determining structures, spectroscopic parameters and transitions to the excited electronic states of the astrophysical relevant (ProQuest: Formulae and/or non-USASCII text omitted) anion, which is a potential intermediate of chemical processes involving carbon chains and polycyclic aromatic hydrocarbons. Calculations confirm the prominent stability of linear carbon chain anions which guarantees their formation. The lowest doublet potential energy surface of (ProQuest: Formulae and/or non-USASCII text omitted) displays six isomers, whereas in the lowest quartet potential energy surface, a unique minimum energy geometry is found. The most stable form is the linear anion (ProQuest: Formulae and/or non-USASCII text omitted) [PUBLICATION ABSTRACT]
doi_str_mv 10.1111/j.1365-2966.2012.21299.x
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ispartof Monthly notices of the Royal Astronomical Society, 2012-08, Vol.424 (2), p.1224
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source Oxford Journals Open Access Collection; Wiley Online Library Journals Frontfile Complete
subjects Astronomy
Astrophysics
Polycyclic aromatic hydrocarbons
Spectrum analysis
title Structure and electronic spectra of the (ProQuest: Formulae and/or non-USASCII text omitted)
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