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Topological effect on MO energies, IV. The total π-electron energy ofS- andT-isomers

✍ Scribed by Ante Graovac; Ivan Gutman; Oskar E. Polansky


Publisher
Springer Vienna
Year
1984
Tongue
English
Weight
475 KB
Volume
115
Category
Article
ISSN
0026-9247

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Topological effect on mo energies: On th
✍ Ioan Motoc; Jeremiah N. Silverman; Oskar E. Polansky 📂 Article 📅 1984 🏛 Elsevier Science 🌐 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