Ab initio investigation of high multiplicity Rþ—Rþ [sigma superscript + - sigma superscript +] optical transitions in the spectra of CN and isoelectronic species

Ab initio investigation of high multiplicity Rþ—Rþ [sigma superscript + - sigma superscript +] optical transitions in the spectra of CN and isoelectronic species

Based on high-level ab initio calculations, we predict the existence of a strong 4Σ+–4Σ+ [superscript 4 sigma superscript + - superscript 4 sigma superscript +] optical transition (dav=1.6 D) [(d subscript av = 1.6 D)] near 328 nm (T00 = 30460 cm-1) [(T subscript 00 = 30460 cm superscript -1)], ana...

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Bibliographic Details
Main Authors:	Kulik, Heather Janine, Steeves, Adam H., Field, Robert W.
Other Authors:	Massachusetts Institute of Technology. Department of Chemistry
Format:	Article
Language:	en_US
Published:	Elsevier ScienceDirect 2011
Online Access:	http://hdl.handle.net/1721.1/65911 https://orcid.org/0000-0001-9342-0191 https://orcid.org/0000-0002-7609-4205

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