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Long polyene and polydiacetylene oligomers: Pariser-Parr-Pople investigation of the geometric and electronic structures in the first
1
B
u
excited state
J. L. Bredas
*
, M. Dory, J. M. André
*
Corresponding author for this work
Research output
:
Contribution to journal
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Article
›
peer-review
24
Scopus citations
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1
B
u
excited state'. Together they form a unique fingerprint.
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Keyphrases
Polyenes
100%
Electronic Structure
100%
Geometric Structure
100%
Excited States
100%
Parr
100%
Polydiacetylene
100%
Transition Energy
25%
Excitonics
25%
Carbon Atom
25%
Chain Length
25%
Restricted Hartree-Fock
25%
Single Excitation
25%
Configuration Interaction
25%
Atomic Charges
25%
Excitation Levels
25%
Chemistry
Polyene
100%
Electronic State
100%
Excited State
100%
Oligomer
100%
Carbon Atom
33%
Configuration Interaction
33%
Restricted open-shell Hartree-Fock calculation
33%
Material Science
Electronic Structure
100%