A Recipe for Geometry Optimization of Diradicalar Singlet States from Broken-Symmetry Calculations

Published 2012 View Full Article

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Title
A Recipe for Geometry Optimization of Diradicalar Singlet States from Broken-Symmetry Calculations
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 116, Issue 31, Pages 8226-8237
Publisher
American Chemical Society (ACS)
Online
2012-07-27
DOI
10.1021/jp303825x

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