EXTENDED TOWNES-DAILEY ANALYSIS II
Creators:Novick, Stewart E.
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Publisher:Ohio State University
Last year at this conference, I presented the Extended (to three dimensions) Townes-Dailey analysis for calculating p-orbital populations from measured nuclear quadrupole coupling tensors., RH04 (2009)} That analysis was limited to molecules containing atoms from the third row and higher. That is, the analysis was limited to unhybridized p-orbitals. Here I will generalize the method to include hybridized orbitals.
Author Institution: Department of Chemistry, Wesleyan University, Middletown, CT 06459
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