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Volumn 119, Issue 4, 1997, Pages 807-815

Novel aspects of the [1,3] sigmatropic silyl shift in allylsilane

Author keywords

[No Author keywords available]

Indexed keywords

SILANE DERIVATIVE;

EID: 0031040270     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9623525     Document Type: Article
Times cited : (29)

References (75)
  • 60
    • 1842334785 scopus 로고    scopus 로고
    • note
    • It is well-known that the TS structures of 1-butene (2) cannot correctly be described by a single Slater determinant. In fact, MP2(full)/ 6-31G** calculations gave an erroneous result that the retention path is more favorable in 2. The preference for the inversion path in 2 was described correctly by CAS(4,4)/6-31G* *//MP2(full)/6-31G** calculations.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.