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Photochemistry of Thymine in Protic Polar Nanomeric Droplets Using Electrostatic Embeding TD-DFT/MM
Thymine photochemistry is important for understanding DNA photodamage. In the gas phase, thymine undergoes a fast non-radiative decay from S [Formula: see text] to S [Formula: see text] . In the S [Formula: see text] state, it gets trapped for several picoseconds until returning to the ground-state...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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MDPI
2021
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8513085/ https://www.ncbi.nlm.nih.gov/pubmed/34641565 http://dx.doi.org/10.3390/molecules26196021 |