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Substituted poly(phenylacetylenes) as possible organic ferromagnets

โœ Scribed by Alexander, C.; Feast, W.J.


Book ID
122698307
Publisher
Elsevier Science
Year
1991
Tongue
English
Weight
23 KB
Volume
43
Category
Article
ISSN
0379-6779

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The ORHF and CAS CI calculations by MNDO and PM3 parametrizations are carried out for poly-cation and -anion states of CsO in order to elucidate bond alternations and changes of ground spin multiplicities by doping of electrons or holes. The singlet state is calculated to be more stable than the tri