Ab initio multiple spawning dynamics of excited state intramolecular proton transfer: the role of spectroscopically dark states

2008 ◽  
Vol 106 (2-4) ◽  
pp. 537-545 ◽  
Author(s):  
Joshua D. Coe ◽  
Todd J. Martinez
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Ab Initio ◽  
Intramolecular Proton Transfer ◽  
Multiple Spawning

Dynamics of excited-state intramolecular proton transfer reactions in piroxicam. Role of triplet states

1994 ◽  
Vol 226 (3-4) ◽  
pp. 275-280 ◽  
Author(s):  
Dae Won Cho ◽  
Yong Hee Kim ◽  
Minjoong Yoon ◽  
Sae Chae Jeoung ◽  
Dongho Kim
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Intramolecular Proton Transfer ◽  
Transfer Reactions ◽  
Triplet States ◽  
Proton Transfer Reactions

Excited state intramolecular proton transfer in julolidine derivatives: an ab initio study

2018 ◽  
Vol 20 (38) ◽  
pp. 25031-25038 ◽  
Author(s):  
Šimon Budzák ◽  
Denis Jacquemin
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Ab Initio ◽  
Intramolecular Proton Transfer ◽  
Substitution Effects ◽  
Ab Initio Study

We have studied, using ab initio tools, a series of fluorescent julolidine derivatives, undergoing Excited State Intramolecular Proton Transfer (ESIPT) and some unexpected substitution effects have been found.

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