Probing cations recognized by a crown ether with the 3D-RISM theory. II. 18-crown-6 ether

In the previous study, we investigated the cation recognition by12-crown-4 ether with the 3D-RISM theory [Ikuta, Y. et al., Chem. Phys. Lett., 2007, 433, 403], and showed the applicability of the theory to the problem. The results show that a 12-crown-4 ether recognizes Li<sup>+</sup> an...

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Main Authors: Y.Maruyama, M.Matsugami, Y.Ikuta
Formato: Artigo
Idioma:Inglês
Publicado em: Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2007-09-01
Colecção:Condensed Matter Physics
Assuntos:
3D-RISM theory
molecular recognition
crown ether
cation
Acesso em linha:http://dx.doi.org/10.5488/CMP.10.3.315
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