Computer simulation of a phosphorescent probe inside β-cyclodextrin matrices
Chemical Physics Letters(2017)
摘要
•The line width of the naphthalene phosphorescence depends on the matrix structure.•Only electrostatic field from about 1nm thick layer matters.•The nearest-neighbor environment is governed by the large-scale packing motif.
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关键词
Molecular dynamics,Non-uniform broadening,Inclusion complexes
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