UHF CNDO/2 study of the phosphoranyl rad
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Y.I. Gorlov; V.V. Penkovsky
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Article
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1975
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Elsevier Science
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English
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The equilibrium geometries and spin density distributions for some phosphoranyl radicals and the radical anion PH30were calculated by the UHF CNDO/2 method. Barriers to permuhtional isomerization in PFQ and PHsOH were estirxted.