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Ab Initio Prediction of the Structure and Vibration−Rotation Spectroscopic Properties of Li 2 OH and Li 2 OH +

✍ Scribed by Gertych, Artur; Koput, Jacek

Book ID
127363200
Publisher
American Chemical Society
Year
2008
Tongue
English
Weight
79 KB
Volume
112
Category
Article
ISSN
1089-5639

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Ab initio prediction of the structure an
Ab initio prediction of the structure and vibration-rotation spectroscopic properties of Na2OH and K2OH
✍ Artur Gertych; Jacek Koput 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 131 KB 👁 1 views

## Abstract The equilibrium structures and potential energy surfaces of the Na~2~OH and K~2~OH radicals and the corresponding cations in their electronic ground states have been determined from accurate __ab initio__ calculations. The vibration‐rotation energy levels and spectroscopic constants of