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Ab initio study of the vibrational structure of the X 2A1 and A 2B1 electronic states of CH+2

โœ Scribed by Willi Reuter; Sigrid D. Peyerimhoff

Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
846 KB
Volume
160
Category
Article
ISSN
0301-0104

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Ab Initio Study of the Electronic Spectr
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โœ Miljenko Periฤ‡; Bojana Ostojiฤ‡; Bernd Engels ๐Ÿ“‚ Article ๐Ÿ“… 1997 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 400 KB

The present paper represents the first part of an extensive theoretical study on the electronic spectrum of B 2 H 2 . The results of ab initio calculations of the vertical spectrum and the trans-and cis-bending potential curves for the lowlying triplet and singlet electronic states are reported. Spe

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The results of ab initio calculations of the potential curves for the torsional motion, symmetric H-B stretching, and B-B stretching in low-lying valence-and Rydberg-character triplet and singlet electronic states of B 2 H 2 are reported. Particularly, the dissociation process B 2 H 2 r BH / BH out