Low-frequency vibrational spectrum of water around cyclodextrin and its methyl-substituted derivatives

Atomistic molecular dynamics (MD) simulations have been carried out to study the low-frequency intermolecular vibrational spectrum of water present in the surrounding hydration layers and inside the cavities of beta-cyclodextrin (BCD) and its di- and trimethyl substituted derivatives, namely, heptak...

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Veröffentlicht in:Langmuir : the ACS journal of surfaces and colloids. - 1985. - 26(2010), 17 vom: 07. Sept., Seite 14097-102
1. Verfasser: Jana, Madhurima (VerfasserIn)
Weitere Verfasser: Bandyopadhyay, Sanjoy
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2010
Zugriff auf das übergeordnete Werk:Langmuir : the ACS journal of surfaces and colloids
Schlagworte:Journal Article Research Support, Non-U.S. Gov't beta-Cyclodextrins Water 059QF0KO0R heptakis(2,3,6-tri-O-methyl)-beta-cyclodextrin 317745Y683 heptakis(2,6-O-dimethyl)beta-cyclodextrin 51166-71-3 betadex JV039JZZ3A