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Accession number;04A0436004
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| Title;Molecular Dynamics Simulation for Distribution of Crowned Spirobenzopyrans on the Interface of Water and 1,2-Dichloroethane |
| Author;
IWAMOTO HITOSHI
(Wakayama Univ.)
KIMURA KEIICHI
(Wakayama Univ.)
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Journal Title;Nippon Kagakkai Koen Yokoshu
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Journal Code:S0493A
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ISSN:0285-7626
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VOL.84th;NO.1;PAGE.6(2004)
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| Figure&Table&Reference;FIG.1 |
| Pub. Country;Japan |
| Language;Japanese |
| Abstract;The two-phases distribution between water and dichloroethane of spirobenzopyrans carrying a monoazacrown ether moiety was calculated by the molecular dynamics. An alkyl chain introducing into the spiropyran ring enters into the organic phase, which stabilize the two-phase interface, was confirmed by the snapshot. The isomerization of the spirobenzopyran moiety to the merocyanine makes the interface unstable, which can be explained from the solid energy consideration. (author abst.) |
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