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

✍ Scribed by Dobeš, Petr; Řezáč, Jan; Fanfrlík, Jindřich; Otyepka, Michal; Hobza, Pavel


Book ID
111865625
Publisher
American Chemical Society
Year
2011
Tongue
English
Weight
911 KB
Volume
115
Category
Article
ISSN
0022-3654

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