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A quantum chemical study of the binding energies in the hydrates of Zn2+, Cd2+ and Hg2+

✍ Scribed by Michael M. Probst

Book ID
113257723
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
593 KB
Volume
253
Category
Article
ISSN
0166-1280

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## Abstract The structure and energetics of complexes obtained upon interaction between cysteine and Zn^2+^, Cd^2+^, Hg^2+^ and Cu^2+^ cations were studied using quantum chemical density functional theory calculations with the 6–311++G\*\* orbital basis set and relativistic pseudopotentials for the