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dc.creatorHarrison, James F.en_US
dc.date.accessioned2006-06-15T13:28:18Z
dc.date.available2006-06-15T13:28:18Z
dc.date.issued1971en_US
dc.identifier1971-V-6en_US
dc.identifier.urihttp://hdl.handle.net/1811/8867
dc.descriptionAuthor Institution: Department of Chemistry, Michigan State Universityen_US
dc.description.abstractUsing ab-initio methods we have studied as a function of angle the spin dipole-spin dipole contribution to the zero field splitting parameters D and E for the $^{3}B_{1}$ state of $CH_{2}$ and $CF_{2}$ and the $^{3}$A^{\prime\prime} state of HCF. We find the decrease in D upon going from $CH_{2}$ to CHF to be $0.026 cm^{-1}$ while going from CHF to $CF_{2}$ we obtain $0.023 cm^{-1}$. In addition we find a good correlation between E and the number of s electrons in the in-plane ($\sigma$) density and a reasonable correlation between E/D and the percent s character in this same density.en_US
dc.format.extent69080 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleTHE CALCULATION OF THE ZERO FIELD SPLITTING PARAMETERS IN CARBENESen_US
dc.typearticleen_US


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