An Ab initio study on the photophysics of tris(salicylideneaniline)

2018 ◽  
Vol 20 (39) ◽  
pp. 25164-25168 ◽  
Author(s):  
Cristina A. Barboza ◽  
Andrzej L. Sobolewski
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Fluorescence Spectrum ◽  
Ab Initio Study ◽  
Proton Transfers ◽  
Multiple Band ◽  
Band Fluorescence

Sequential excited-state proton transfers result in multiple band fluorescence spectrum.

An ab initio study of the ground and first excited state of HCN ↔ HNC isomerization and a calculation of the HNC A → X fluorescence spectrum

1995 ◽  
Vol 237 (1-2) ◽  
pp. 27-32 ◽  
Author(s):  
B. Gazdy ◽  
D.G. Musaev ◽  
J.M. Bowman ◽  
K. Morokuma
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Fluorescence Spectrum ◽  
Ab Initio Study ◽  
First Excited State

An Ab Initio Study of the Ground and Excited State Chemistry of Phenyldiazirine and Phenyldiazomethane

2010 ◽  
Vol 114 (18) ◽  
pp. 5902-5912 ◽  
Author(s):  
Yunlong Zhang ◽  
Shubham Vyas ◽  
Christopher M. Hadad ◽  
Matthew S. Platz
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Ab Initio Study

Ab initio study of the ground state and the first excited state of the rectangular (D2h)N4 molecule

2001 ◽  
Vol 347 (1-3) ◽  
pp. 220-228 ◽  
Author(s):  
Martina Bittererová ◽  
Henric Östmark ◽  
Tore Brinck
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Ground State ◽  
Ab Initio Study ◽  
First Excited State

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.

Excited state properties of formamide in water solution: An ab initio study

2012 ◽  
Vol 137 (16) ◽  
pp. 164317 ◽  
Author(s):  
V. Garbuio ◽  
M. Cascella ◽  
R. Del Sole ◽  
M. Marsili ◽  
O. Pulci
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Water Solution ◽  
Ab Initio Study
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