SCF MO calculations on excited singlet-s
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D. Lavalette; C. Tetreau; J. Langelaar
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Article
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1971
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Elsevier Science
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English
β 423 KB
The results of SCF MO c~cu~atio~ on excited S-S and T-T tra~i~o~ are compared with ex'peri- meats for l,2 :3,4\_dibemanthracene, l,l2-banzperylone and 3.Gbenzcoronene. The ngreement is rensannbla for the triplet but lees satisfactory for the sing!et trunsitious. The conditiana under which simflnrit