Published in
American Chemical Society, The Journal of Physical Chemistry A, 48(112), p. 12518-12525, 2008
DOI: 10.1021/jp807183m
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Performance of Block Correlated Coupled Cluster Method with the CASSCF Reference Function for the Prediction of Activation Barriers, Spectroscopic Constants in Diatomic Molecules, and Singlet−Triplet Gaps in Diradicals
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