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Volumn 4, Issue 4, 2002, Pages 473-476

Influence of ground-state conformations on the intramolecular amidofuran Diels-Alder reaction

Author keywords

[No Author keywords available]

Indexed keywords

AMIDE; FURAN DERIVATIVE;

EID: 0037149031     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol016804g     Document Type: Article
Times cited : (38)

References (30)
  • 21
    • 0042323268 scopus 로고    scopus 로고
    • (b) See also http://www.schrodinger.com.
  • 22
    • 0001242234 scopus 로고    scopus 로고
    • For MMFF parameters, see: (a) Halgren, T. A. J. Comput. Chem. 1999, 20, 730-748.
    • (1999) J. Comput. Chem. , vol.20 , pp. 730-748
    • Halgren, T.A.1
  • 24
    • 20544433165 scopus 로고
    • The van der Waals radius of a C-H hydrogen is 1.2 Å (Bondi, A. J. Phys. Chem. 1964, 68, 441. Rowland, R. S.; Taylor, R. J. Phys. Chem. 1996, 100, 7384-7391), implying an r(H⋯H) contact distance of 2.4 Å.
    • (1964) J. Phys. Chem. , vol.68 , pp. 441
    • Bondi, A.1
  • 25
    • 33748546968 scopus 로고    scopus 로고
    • The van der Waals radius of a C-H hydrogen is 1.2 Å (Bondi, A. J. Phys. Chem. 1964, 68, 441. Rowland, R. S.; Taylor, R. J. Phys. Chem. 1996, 100, 7384-7391), implying an r(H⋯H) contact distance of 2.4 Å.
    • (1996) J. Phys. Chem. , vol.100 , pp. 7384-7391
    • Rowland, R.S.1    Taylor, R.2
  • 26
    • 0000189651 scopus 로고
    • For Becke's three parameter exchange functional, see: (a) Becke, A. D. J. Chem. Phys. 1993, 98, 5648-5652. For the LYP correlation functional, see:
    • (1993) J. Chem. Phys. , vol.98 , pp. 5648-5652
    • Becke, A.D.1
  • 29
    • 0041822361 scopus 로고    scopus 로고
    • note
    • Transition state structures were characterized by one imaginary vibrational frequency (Nimag = 1) corresponding to the bonding event. No zero-point energy corrections were applied to any of the calculated structures.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.