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Malinee Promkatkaew, Songwut Suramitr, Thitinun Karpkird, Masahiro Ehara and Supa Hannongbua Absorption and emission properties of various substituted cinnamic acids and cinnamates, based on TDDFT investigation International Journal of Quantum Chemistry 113

Version of Record online: 4 JUN 2012 | DOI: 10.1002/qua.24169

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Cinnamates are widely used as UVA and UVB absorbers in commercial sunscreens. Their absorption properties and photochemical stability can be tuned by substitution at the molecule's aromatic ring. Time-dependent density functional theory is used in this study to aid the design of novel UVB blocking molecules by selecting the substituted methyl-cinnamate and cinnamic acid among different candidates with the desired photochemical and photophysical behavior.

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