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Renner–Teller effect in six-atomic molecules: Ab initio investigation of the vibronic spectrum of

✍ Scribed by Miljenko Perić; Radomir Ranković; Stanka Jerosimić


Book ID
108088998
Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
298 KB
Volume
344
Category
Article
ISSN
0301-0104

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✍ Miljenko Perić; Marija Krmar; Jelena Radić-Perić; Ljiljana Stevanović 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 172 KB

Large-scale CI calculations are carried out to obtain accurate bending potential energy curves for the 1 3 A 1 and 2 3 B 1 components of the A 3 u electronic state of NCN and the electric transition moment functions for the A 3 u -X 3 - g spectral system of this molecule. These data are combined to