Ab initio calculations of infrared trans
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Pavel Rosmus; Hans-Joachim Werner; Michael Grimm
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Article
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1982
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Elsevier Science
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English
β 523 KB
Llcctnc dlpole moment functions and radiahre tr;msiuon rates haw been calculated ior the X '~+state of BF and the Y z~\* swc oi BP irom MC SCF uavefunctlons. Both ale prcdickd to be strong emitters m the infrared. For BF\* the elcctromcally uvxed z~\* state. corrcspondmg to the coniigunuon lo' 2a'3