Theoretical Studies of Metal Ion Selectivity.† 2. DFT Calculations of Complexation Energies of Selected Transition Metal Ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+) in Metal-Binding Sites of Metalloproteins-Reference-Cited by-同舟云学术

Theoretical Studies of Metal Ion Selectivity.† 2. DFT Calculations of Complexation Energies of Selected Transition Metal Ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+) in Metal-Binding Sites of Metalloproteins

Published:2002-03-20 Issue:15 Volume:106 Page:3855-3866
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Rulíšek Lubomír¹,Havlas Zdeněk¹

Affiliation:

1. Institute of Organic Chemistry and Biochemistry, Academy of Sciences of the Czech Republic, and Center for Complex Molecular Systems and Biomolecules, Flemigovo náměstí. 2, 166 10 Prague 6, Czech Republic

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp013951n

Reference80 articles.

1. Metal substitution and the active site of carbonic anhydrase

2. Using antibodies to perturb the coordination sphere of a transition metal complex

3. Ab initio calculations on first-row transition metal porphyrins Part 2. Ground state spin multiplicities, calculated ionisation potentials and electron affinities and their relation to catalytic activity

4. The active-site metal coordination geometry of cadmium-substituted alcohol dehydrogenase

5. Relation between the Structure and Spectroscopic Properties of Blue Copper Proteins

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