Topological effect on mo energies: On th
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Ioan Motoc; Jeremiah N. Silverman; Oskar E. Polansky
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Article
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1984
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Elsevier Science
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English
⚖ 454 KB
NonempirIcal HF SCF MO ~lculauons have been performed for the topologicilly related o-and p-benzoqumones. The SCF n-h10 eigenvalues obtamed using srandard geometnes are m mmplete agreement with the topologuleffedon-molecular\*,rbitals (TEMO) theorem; the same ergenvalue spectra computed wrth optirru