Analysis of the Singlet–Triplet Splitting Computed by the Density Functional Theory–Broken-Symmetry Method: Is It an Exchange Coupling Constant?

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Title
Analysis of the Singlet–Triplet Splitting Computed by the Density Functional Theory–Broken-Symmetry Method: Is It an Exchange Coupling Constant?
Authors
Keywords
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Journal
INORGANIC CHEMISTRY
Volume 50, Issue 12, Pages 5577-5586
Publisher
American Chemical Society (ACS)
Online
2011-05-27
DOI
10.1021/ic200198f

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