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• W2163482010 abstract "A microscopic model of the time-resolved Stokes shift is developed. The model calculates the solvation dynamics by combining the atomic resolution of the solute structure with dipolar dynamics from the polarization structure factors of the homogeneous solvent. Calculations are made for coumarin 153 and quinoxaline optical dyes with atomic geometries and charge distributions taken from quantum calculations. Stokes shift dynamics is calculated and compared to experiment in high-temperature acetonitrile and methanol and in low-temperature 2-methyl-tetrahydrofurane using dielectric relaxation data from experiment." @default.
• W2163482010 created "2016-06-24" @default.
• W2163482010 creator A5003059556 @default.
• W2163482010 date "2005-01-04" @default.
• W2163482010 modified "2023-09-25" @default.
• W2163482010 title "On the microscopic theory of polar solvation dynamics" @default.
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• W2163482010 doi "https://doi.org/10.1063/1.1836752" @default.
• W2163482010 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/15740262" @default.
• W2163482010 hasPublicationYear "2005" @default.
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