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Semiempirical SCF–MO treatment of excited states of aromatic compounds
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Semiempirical SCF–MO treatment of excited states of aromatic compounds
Semiempirical SCF–MO treatment of excited states of aromatic compounds
MD
Michael J. S. Dewar
Michael J. S. Dewar
NT
Nenad Trinajstic
Nenad Trinajstic
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1 January 1971
journal article
research article
Published by
Royal Society of Chemistry (RSC)
in
J. Chem. Soc. A
p.
1220-1237
https://doi.org/10.1039/j19710001220
Abstract
Recent papers have described a semiempirical treatment of ground states of conjugated molecules, based on the Hückel
σ
,
π
-approximation. Here we report an extension of the method to the lowest singlet and triplet excited states.
Keywords
TREATMENT
SCF
EXCITED
TRIPLET
CONJUGATED
HÜCKEL
LOWEST
AROMATIC
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Cited by 51 articles