Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space Methods

Title
Calculation of Heats of Formation for Zn Complexes: Comparison of Density Functional Theory, Second Order Perturbation Theory, Coupled-Cluster and Complete Active Space Methods
Authors
Keywords
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Journal
Journal of Chemical Theory and Computation
Volume 9, Issue 12, Pages 5277-5285
Publisher
American Chemical Society (ACS)
Online
2013-10-29
DOI
10.1021/ct400856g

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