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KMID : 1059519900340020136
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Journal of the Korean Chemical Society
1990 Volume.34 No. 2 p.136 ~ p.142
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Pertubation MO Treatments for Stabilization Energy of Radical Reaction and Bond Dissociation Energy of Some Hydrocarbons
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Lee Gap-Ryong
Seo Man-Chul
Kim Ho-Soon
Park Byung-Kak
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Abstract
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PMO (Pertubation Molecular Orbital) energies, δE, have been calculated from NBMO (Nonbonding Molecular Orbital) coefficient for some hydrocarbons by PMO method. It was found that the stabilization energies are correlated with activation energies, bond dissociation energies, and G-values observed from vapor phase radiolysis in the free radical reactions.
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