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

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

Tavernelli, I. ; Tapavicza, E. ; Rothlisberger, U.

Published in:
Journal of Physical Chemistry A, 113, 9595-9602
Year:
2009
Keywords:
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
DOI:
10.1021/jp901356k
Other identifiers:
View record in Web of Science
Laboratories:
LCBC

Record appears in:
Scientific production and competences > SB - School of Basic Sciences > ISIC - Institute of Chemical Sciences and Engineering > LCBC - Laboratory of Computational Chemistry and Biochemistry
Peer-reviewed publications
Work produced at EPFL
Journal Articles
Published



 Record created 2009-12-01, last modified 2020-07-30


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