Spin Contamination Error in Optimized Geometry of Singlet Carbene (1A1) by Broken-Symmetry Method†

Published 2009 View Full Article

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Title
Spin Contamination Error in Optimized Geometry of Singlet Carbene (1A1) by Broken-Symmetry Method†
Authors
Keywords
-
Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 113, Issue 52, Pages 15041-15046
Publisher
American Chemical Society (ACS)
Online
2009-10-09
DOI
10.1021/jp905125g

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