Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails

Title
Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 115, Issue 26, Pages 8581-8589
Publisher
American Chemical Society (ACS)
Online
2011-06-08
DOI
10.1021/jp202149z

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