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Volumn 128, Issue 6, 2006, Pages 2035-2042

De novo structure-based design of bisurea hosts for tetrahedral oxoanion guests

Author keywords

[No Author keywords available]

Indexed keywords

COMPLEXATION; COMPUTER AIDED DESIGN; COMPUTER SOFTWARE; NEGATIVE IONS;

EID: 33244476753     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja056699w     Document Type: Article
Times cited : (79)

References (73)
  • 1
    • 0004091542 scopus 로고    scopus 로고
    • Bianchi, A., Bowman-James, K., García-España, E., Eds.; Wiley-VHC, New York
    • (a) Supramolecular Chemistry of Anions; Bianchi, A., Bowman-James, K., García-España, E., Eds.; Wiley-VHC, New York, 1997.
    • (1997) Supramolecular Chemistry of Anions
  • 13
    • 4644348483 scopus 로고    scopus 로고
    • Moyer, B. A., Singh, R. P., Eds.: Kluwer Academic/ Plenum: New York
    • (l) Fundamentals and Applications of Anion Separations; Moyer, B. A., Singh, R. P., Eds.: Kluwer Academic/ Plenum: New York, 2004.
    • (2004) Fundamentals and Applications of Anion Separations
  • 23
    • 3042665117 scopus 로고    scopus 로고
    • PNNL-13850; Pacific Northwest National Laboratory. Richland, WA
    • (a) Hay, B. P.; Firman, T. K. HostDesigner User's Manual, PNNL-13850; Pacific Northwest National Laboratory. Richland, WA, 2004.
    • (2004) HostDesigner User's Manual
    • Hay, B.P.1    Firman, T.K.2
  • 24
    • 33244477991 scopus 로고    scopus 로고
    • available free of charge via the Internet
    • (b) HostDesigner software and User's Manual are available free of charge via the Internet at http://hostdesigner.emsl.pnl.gov.
    • HostDesigner Software and User's Manual
  • 35
    • 33244484259 scopus 로고    scopus 로고
    • The GMMX program, a component of PCModel, is available through Dr. Kevin Gilbert, Serena Software, Box 3076, IN 47402.
    • The GMMX program, a component of PCModel, is available through Dr. Kevin Gilbert, Serena Software, Box 3076, IN 47402.
  • 51
    • 33244470277 scopus 로고    scopus 로고
    • note
    • In accord with prior calculations on 1:1 urea-anion complexes, the vertex form is not a local minimum.9, 10 MMFF94 yields this structure only by constraining a O-C⋯O-Cl dihedral angle to 0° during geometry optimization.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.