Theoretical Characterization of Photoiso
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Zexing Cao; Qianer Zhang; Sigrid D. Peyerimhoff
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Article
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2001
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John Wiley and Sons
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English
โ 224 KB
๐ 1 views
Photoexcitations and photoisomerizations due to low-lying np\* and pp\* excited states of dimethylpyridines are investigated by density functional theory, CASSCF, CASPT2 and MRCI methodologies. Mechanistic details for the formation of Dewar dimethylpyridines and the interconversions of dimethylpyrid