Theoretical insights on the excited-state-deactivation mechanisms of protonated thymine and cytosine-Reference-Cited by-同舟云学术

Theoretical insights on the excited-state-deactivation mechanisms of protonated thymine and cytosine

Published:2021 Issue:14 Volume:23 Page:8916-8925
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Shahrokh Leila¹²³⁴,Omidyan Reza¹²³⁴^ORCID,Azimi Gholamhassan¹²³⁴

Affiliation:

1. Department of Chemistry

2. University of Isfahan

3. Isfahan

4. Iran

Abstract

Excited-state deactivation mechanism of protonated cytosine and thymine is investigated based on ab initio and NAMD simulation methods. The ring deformation from C₆ region is suggested to play the most prominent role in deactivation mechanism.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D0CP06673G

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4. Comparison of the non-radiative decay mechanisms of 4-pyrimidinone and uracil: an ab initio study

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