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Volumn 74, Issue 22, 2009, Pages 8626-8637

Quantum-mechanical study of 10-R-9-borabicyclo[3.3.2]decane alkene hydroboration

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO QUANTUM MECHANICAL METHODS; HYDROBORATION; QUANTUM-MECHANICAL STUDY; RING CONFORMATIONS; TRANSITION STRUCTURES; TRANSITION-STATE;

EID: 70449640089     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo901737d     Document Type: Article
Times cited : (12)

References (60)
  • 36
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    • Schrodinger, New York
    • (a) Jaguar, version 7.0, Schrodinger, New York, 2007.
    • (2007) Jaguar, Version 7.0
  • 37
    • 67249153878 scopus 로고    scopus 로고
    • Schrodinger, New York
    • (b) Jaguar, version 7.5, Schrodinger, New York, 2009.
    • (2009) Jaguar, Version 7.5
  • 39
    • 0033731344 scopus 로고    scopus 로고
    • MPW1K energies are also given in the Supporting Information
    • MPW1K energies are also given in the Supporting Information. (a)Lynch, B. J.; Fast, P. L.; Harris, M.; Truhlar, D. G. J. Phys. Chem. A 2000, 104, 4811.
    • (2000) J. Phys. Chem. A , vol.104 , pp. 4811
    • Lynch, B.J.1    Fast, P.L.2    Harris, M.3    Truhlar, D.G.4
  • 45
    • 70449675529 scopus 로고    scopus 로고
    • note
    • (b) The SCS-MP2 method scales the electron correlation energy by 6/5 and 1/3 for spin-antiparallel and spin-parallel correlation energies.
  • 57
    • 70449663260 scopus 로고    scopus 로고
    • 2006 DeLano Scientific LLC
    • 2006 DeLano Scientific LLC.
  • 59
    • 70449655137 scopus 로고    scopus 로고
    • note
    • (a) The S-configuration of 2a and 2b was used throughout this study. Soderquist and co-workers utilized both R- and S-configurations in their study. See ref 4.
  • 60
    • 66449092880 scopus 로고    scopus 로고
    • Sarotti and Pellegrinet have recently explored the conformational energies of allyl-10-R-9-borabicyclo[3.3.2]decanes. See
    • (b) Sarotti and Pellegrinet have recently explored the conformational energies of allyl-10-R-9-borabicyclo[3.3.2]decanes. See: Sarotti, A. M.; Pellegrinet, S. C. J. Org. Chem. 2009, 74, 3562.
    • (2009) J. Org. Chem. , vol.74 , pp. 3562
    • Sarotti, A.M.1    Pellegrinet, S.C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.