Unrestricted Prescriptions for Open-Shell Singlet Diradicals: Using Economical Ab Initio and Density Functional Theory to Calculate Singlet–Triplet Gaps and Bond Dissociation Curves

标题
Unrestricted Prescriptions for Open-Shell Singlet Diradicals: Using Economical Ab Initio and Density Functional Theory to Calculate Singlet–Triplet Gaps and Bond Dissociation Curves
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 116, Issue 20, Pages 4922-4929
出版商
American Chemical Society (ACS)
发表日期
2012-05-12
DOI
10.1021/jp300633j

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