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Photochemistry of CH 2 BrCl: An ab Initio and Dynamical Study

✍ Scribed by Rozgonyi, Tamás; González, Leticia


Book ID
127019581
Publisher
American Chemical Society
Year
2002
Tongue
English
Weight
361 KB
Volume
106
Category
Article
ISSN
1089-5639

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Photochemistry of CH3Mn(CO)5: A multicon
✍ Leticia González; Chantal Daniel 📂 Article 📅 2006 🏛 John Wiley and Sons 🌐 English ⚖ 216 KB

## Abstract The electronic spectroscopy of CH~3~Mn(CO)~5~ has been investigated by means of __ab initio__ multiconfigurational MS‐CASPT2/CASSCF calculations. The absorption spectrum is characterized by a series of Metal‐Centered (MC) excited states in the UV energy domain (below 290 nm) that could