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Volumn 10, Issue 8, 2008, Pages 1633-1636

Transition states of strain-promoted metal-free click chemistry: 1,3-dipolar cycloadditions of phenyl azide and cyclooctynes

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EID: 50249178663     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol8003657     Document Type: Article
Times cited : (174)

References (39)
  • 24
    • 58149184450 scopus 로고    scopus 로고
    • Gaussian 03, Revision C.02, Frisch, M. J. et al. See the Supporting Information for the full reference and computational details,
    • (a) Gaussian 03, Revision C.02, Frisch, M. J. et al. See the Supporting Information for the full reference and computational details,
  • 25
    • 27744489233 scopus 로고    scopus 로고
    • For 1,3-dipolar cycloadditions, B3LYP/6-31G* has a mean absolute deviation of 1.5 kcal/mol compared to the multicomponent ab initio CBS-QB3 method for activation barriers. See: Ess, D. H.; Houk, K. N. J. Phys. Chem. A 2005, 109, 9542.
    • (b) For 1,3-dipolar cycloadditions, B3LYP/6-31G* has a mean absolute deviation of 1.5 kcal/mol compared to the multicomponent ab initio CBS-QB3 method for activation barriers. See: Ess, D. H.; Houk, K. N. J. Phys. Chem. A 2005, 109, 9542.
  • 34
    • 58149187245 scopus 로고    scopus 로고
    • 3) is nearly twice the amount from azide to acetylene. Ess, D. H.; Khaliullin, R. Z.; Head-Gordon, M.; Houk, K. N. Unpublished results.
    • 3) is nearly twice the amount from azide to acetylene. Ess, D. H.; Khaliullin, R. Z.; Head-Gordon, M.; Houk, K. N. Unpublished results.
  • 35


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.