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

2021 ◽  
Vol 23 (14) ◽  
pp. 8916-8925
Author(s):  
Leila Shahrokh ◽  
Reza Omidyan ◽  
Gholamhassan Azimi
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Simulation Methods ◽  
Protonated Cytosine ◽  
Protonated Thymine ◽  
Ring Deformation ◽  
Deactivation Mechanism

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.

Structures of Protonated Thymine and Uracil and Their Monohydrated Gas-Phase Ions from Ultraviolet Action Spectroscopy and Theory

2014 ◽  
Vol 118 (24) ◽  
pp. 4256-4265 ◽  
Author(s):  
Sara Øvad Pedersen ◽  
Camilla Skinnerup Byskov ◽  
Frantisek Turecek ◽  
Steen Brøndsted Nielsen
Keyword(s):  
Gas Phase ◽  
Action Spectroscopy ◽  
Gas Phase Ions ◽  
Protonated Thymine
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