Nonuniform Continuum Model for Solvatochromism Based on Frozen-Density Embedding Theory
نویسندگان
چکیده
منابع مشابه
Non-uniform Continuum Model for Solvated Species Based on Frozen-Density Embedding Theory: The Study Case of Solvatochromism of Coumarin 153.
Recent application of the Frozen-Density Embedding Theory based continuum model of the solvent, which is used for calculating solvatochromic shifts in the UV/Vis range, are reviewed. In this model, the solvent is represented as a non-uniform continuum taking into account both the statistical nature of the solvent and specific solute-solvent interactions. It offers, therefore, a computationally ...
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ژورنال
عنوان ژورنال: ChemPhysChem
سال: 2014
ISSN: 1439-4235
DOI: 10.1002/cphc.201402351