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Electronic Transition Moment for the 0 00 Band of the à ← X̃ Transition in the Ethyl Peroxy Radical

✍ Scribed by Melnik, Dmitry; Thomas, Phillip S.; Miller, Terry A.


Book ID
127321685
Publisher
American Chemical Society
Year
2011
Tongue
English
Weight
999 KB
Volume
115
Category
Article
ISSN
1089-5639

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📜 SIMILAR VOLUMES


Computations on the ÖX̃ transition of i
✍ Theodore S. Dibble 📂 Article 📅 2005 🏛 John Wiley and Sons 🌐 English ⚖ 368 KB

## Abstract Calculations are carried out on the à state of HO~2~, CH~3~O~2~, and CH~3~CH~2~O~2~ and 10 isomers and conformers of the isoprene‐OH‐O~2~ peroxy radicals derived from OH addition to isoprene (2‐methyl‐1,3‐butadiene). In addition to calculating vertical and adiabatic excitation energies,

Calculated Vibrational Intensities in th
✍ James K.G Watson 📂 Article 📅 2001 🏛 Elsevier Science 🌐 English ⚖ 183 KB

Relative intensities in the vibrational structure of the Ã1 A u (C 2h )-X 1 + g (D ∞h ) electronic transition of acetylene are calculated. The calculation takes account of the large change of geometry and the change in the normal coordinates (the Dushinskií effect) between the two states. Because co