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Improved method for estimating the ZFS parameter D for delocalized biradicals

✍ Scribed by Kay A. Sandberg; David A. Shultz

Publisher
John Wiley and Sons
Year
1998
Tongue
English
Weight
113 KB
Volume
11
Category
Article
ISSN
0894-3230

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✦ Synopsis

An 'average' approximation for calculating the zero-field splitting parameter, D, gives reasonable results when used to calculate D values for non-disjoint delocalized organic biradicals. When used to calculate disjoint localized organic biradicals the D values are approximately half the experimental values.

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