Article ID Journal Published Year Pages File Type
5401908 Journal of Luminescence 2011 7 Pages PDF
Abstract
► Hydrogen-bonded phenol-(H2O)3-5 clusters in electronic excited states were investigated by TDDFT. ► Both singlet and triplet electronic excited states are calculated. ► Hydrogen bonds in the excited state are significantly changed upon photoexcitation.
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Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Time-dependent density functional theory study on electronic excited states of the hydrogen-bonded solute-solvent phenol-(H2O)n (n=3-5) clusters
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