Intermolecluar interactions of fucose with aromatic molecules: Analysis by ab initio molecular orbital calculations

DOI

Bibliographic Information

Other Title
  • フコースと芳香族分子の分子間相互作用：ab initio 分子軌道法による解析

Abstract

Interaction energies for fucose-phenol and fucose-indole clusters were calculated by ab initio molecular orbital method. The calculations show that significant attraction exists between the nonpolar surface of fucose and the aromatic rings. The dispersion interaction is the major source of the attraction in the clusters. The interaction of indole with fucose is substantially larger than that of benzene due to the large polarizability of indole.

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Keywords

Details 詳細情報について

  • CRID
    1390001205556627072
  • NII Article ID
    130004728757
  • DOI
    10.11494/kisoyuki.2009.0.15.0
  • Text Lang
    ja
  • Data Source
    • JaLC
    • CiNii Articles
  • Abstract License Flag
    Disallowed

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