An ab initio random phase approximation study of the excited-state intramolecular proton transfer in 3-hydroxychromone

1985 ◽  
Vol 89 (21) ◽  
pp. 4460-4464 ◽  
Author(s):  
Thomas D. Bouman ◽  
Michael A. Knobeloch ◽  
Steve Bohan
Keyword(s):  
Excited State ◽  
Proton Transfer ◽  
Ab Initio ◽  
Random Phase Approximation ◽  
Random Phase ◽  
Intramolecular Proton Transfer ◽  
Phase Approximation

scholarly journals Ab initio phase diagram of PbSe crystals calculated with the random phase approximation

2018 ◽  
Vol 98 (14) ◽  
Author(s):  
Tobias Schäfer ◽  
Zhaochuan Fan ◽  
Michael Grünwald ◽  
Georg Kresse
Keyword(s):  
Phase Diagram ◽  
Ab Initio ◽  
Random Phase Approximation ◽  
Random Phase ◽  
Phase Approximation

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.

Sign in / Sign up

Export Citation Format

Share Document