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Volumn 119, Issue 16, 1997, Pages 3818-3823

Absolute configuration of bromochloroflouromethane from molecular dynamics simulation of its enantioselective complexation by cryptophane-C

Author keywords

[No Author keywords available]

Indexed keywords

BROMOCHLOROFLUOROMETHANE; HALOGENATED HYDROCARBON; UNCLASSIFIED DRUG;

EID: 0031010130     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja9701164     Document Type: Article
Times cited : (73)

References (50)
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    • 0001456985 scopus 로고
    • Applequist, J. Acc. Chem. Res. 1977, 10, 79-85. See also earlier semiempirical calculations of the vibrational circular dichroism and Raman optical activity spectra based on group or bond polarizabilities: Barron, L. D.; Clark, B. P. Molec. Phys. 1982, 46, 839-851. Prasad, P. L.; Nafie, L. A. J. Chem. Phys. 1979, 70, 5582-5588.
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    • note
    • The empirical rule of Brewster (ref 6) as well as a sophisticated model used by Applequist (ref 7) also predict 1 to have (S)-(+) or (R)-(-) configuration, although these models assume opposite polarizability orders for H vs F.
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    • Cryptophanes
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    • To be published
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.