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> Ab Initio Excited State Properties and Dynamics of a Prototype sigma-Bridged-Donor-Acceptor Molecule
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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
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Record created 2009-12-01, last modified 2019-12-05
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