The benzene–argon complex: A ground and excited state ab initio study

1998 ◽  
Vol 108 (7) ◽  
pp. 2784-2790 ◽  
Author(s):  
Henrik Koch ◽  
Berta Fernández ◽  
Ove Christiansen
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Ab Initio Study

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

Ab initio study of the first excited state A2Σ+ and of the transition A2Σ+←X2Π of CNO

2008 ◽  
Vol 458 (1-3) ◽  
pp. 24-28 ◽  
Author(s):  
C. Léonard ◽  
G. Chambaud
Keyword(s):  
Excited State ◽  
Ab Initio ◽  
Ab Initio Study ◽  
First Excited State
Sign in / Sign up

Export Citation Format

Share Document