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  4. Ab Initio Excited State Properties and Dynamics of a Prototype sigma-Bridged-Donor-Acceptor Molecule
 
research article

Ab Initio Excited State Properties and Dynamics of a Prototype sigma-Bridged-Donor-Acceptor Molecule

Tavernelli, I.  
•
Tapavicza, E.  
•
Rothlisberger, U.  
2009
The Journal of Physical Chemistry A
  • Details
  • Metrics
Type
research article
DOI
10.1021/jp901356k
Web of Science ID

WOS:000269253000004

Author(s)
Tavernelli, I.  
Tapavicza, E.  
Rothlisberger, U.  
Date Issued

2009

Published in
The Journal of Physical Chemistry A
Volume

113

Start page

9595

End page

9602

Subjects

Density-Functional Theory

•

Intramolecular Charge-Transfer

•

Through-Bond Interaction

•

The-Identity Approximation

•

Coupled-Cluster Theory

•

Model Cc2

•

Excitation-Energies

•

Basis-Sets

•

Deactivation Mechanisms

•

Electronic-Structure

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCBC  
Available on Infoscience
December 1, 2009
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/44563
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