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Volumn 82, Issue 4, 2010, Pages 969-978

A theoretical study of the bowl-to-bowl inversion of sumanene derivatives

Author keywords

Bowl structure; Bowl to bowl inversion; Calculation; Inversion barrier; Sumanene

Indexed keywords


EID: 77951872830     PISSN: 00334545     EISSN: 13653075     Source Type: Journal    
DOI: 10.1351/PAC-CON-09-10-13     Document Type: Conference Paper
Times cited : (36)

References (36)
  • 32
    • 77951807418 scopus 로고    scopus 로고
    • All optimization for planar conformers exhibited one imaginary frequency
    • All optimization for planar conformers exhibited one imaginary frequency.
  • 34
    • 77951809102 scopus 로고    scopus 로고
    • The experimental POAV value determined from the crystal structure in ref. [5a] is 8.8°
    • The experimental POAV value determined from the crystal structure in ref. [5a] is 8.8°.
  • 35
    • 8444222002 scopus 로고    scopus 로고
    • Bowl depth and POAV are 1.39 Å and 10.83°, which are determined from the reported crystal structure
    • Bowl depth and POAV are 1.39 Å and 10.83°, which are determined from the reported crystal structure. M. A. Petrukhina, K. W. Andreini, L. Peng, L. T. Scott. Angew. Chem., Int. Ed. 43, 5477 (2004
    • (2004) Angew. Chem., Int. Ed. , vol.43 , pp. 5477
    • Petrukhina, M.A.1    Andreini, K.W.2    Peng, L.3    Scott, L.T.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.