Photochemistry of Thymine in Protic Polar Nanomeric Droplets Using Electrostatic Embeding TD-DFT/MM

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<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></...

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Bibliographic Details
Main Author: Miquel Huix-Rotllant
Format: Article
Language:English
Published: MDPI AG 2021-10-01
Series:Molecules
Subjects:
electrostatic embedding
QM/MM
conical intersections
nucleobases
thymine
Online Access:https://www.mdpi.com/1420-3049/26/19/6021

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