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Ab Initio Potential Energy Curves for the Ground and Low-Lying Excited States of OH and OH – and a Study of Rotational Fine Structure in Photodetachment

✍ Scribed by Srivastava, Saurabh; Sathyamurthy, N.


Book ID
121488924
Publisher
American Chemical Society
Year
2014
Tongue
English
Weight
708 KB
Volume
118
Category
Article
ISSN
1089-5639

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The structure of BO2 in its ground and l
✍ Pál Császár; Walter Kosmus; Yurii N. Panchenko 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 446 KB

Potential curves for the X 2~g, A 2~u, B 2 C: and C 2x; electronic states of BO2 were calculated at ab initio SCF RHF and confiiuration Interaction (CI) level. The results obtained are consistent with a linear molecular model for all states considered. The calculated structural parameters and transi