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  • Collection of Czechoslovak Chemical Communications
/ Structure / Research Areas / Computational Chemistry / Lubomír Rulíšek / Papers / 2000

2000

Rulíšek L., Havlas Z.:
Ab initio calculatons of [CoY6-nXn]2+ complexes.
Journal of Chemical Physics 112 (1): 149-157, 2000.

Rulíšek L., Havlas Z.:
Theoretical studies of metal ion selektivity. 1. DFT calculations of interaction energies of amino acid side chains with selected transition metal ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+).
Journal of American Chemical Society 122 (42): 10428-10439, 2000.

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