A theoretical study of thermal [1,3]-sig
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Chultack Lim; Hee Soon Lee; Young-Woo Kwak; Cheol Ho Choi
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Article
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2005
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John Wiley and Sons
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English
β 421 KB
## Abstract Possible reaction mechanisms of 1,3βsilyl and 1,3βhydrogen thermal rearrangements of trimethylsilylβ1βpyrazoline and its model systems were theoretically explored using B3LYP, MP2, CRβCCSD(T), CASSCF(6,5), and MRMP2(6,5) theories. Nitrogen substitution at the center position of allylic