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

标题
Semiempirical Quantum Mechanical Method PM6-DH2X Describes the Geometry and Energetics of CK2-Inhibitor Complexes Involving Halogen Bonds Well, While the Empirical Potential Fails
作者
关键词
-
出版物
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 115, Issue 26, Pages 8581-8589
出版商
American Chemical Society (ACS)
发表日期
2011-06-08
DOI
10.1021/jp202149z

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