Theoretical Studies of Metal Ion Selectivity. 1. DFT Calculations of Interaction Energies of Amino Acid Side Chains with Selected Transition Metal Ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+)
- 1 October 2000
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 122 (42) , 10428-10439
- https://doi.org/10.1021/ja001265g
Abstract
No abstract availableThis publication has 77 references indexed in Scilit:
- Geometry and electronic structure of bis-(glycinato)-CuII·2H2O complexes as studied by density functional B3LYP computationsPhysical Chemistry Chemical Physics, 1999
- Reactivity of Sc+(3D,1D) and V+(5D,3F): Reaction of Sc+ and V+ with WaterJournal of the American Chemical Society, 1999
- Coordination geometries of selected transition metal ions (Co2+, Ni2+, Cu2+, Zn2+, Cd2+, and Hg2+) in metalloproteinsPublished by Elsevier ,1998
- An ab initio study of the reaction mechanism of Co++NH3The Journal of Chemical Physics, 1997
- Factors Determining the Ligand Field Stabilization Energies of the Hexaaqua 2+ Complexes of the First Transition Series and the Irving-Williams OrderInorganic Chemistry, 1995
- Association and insertion complexes of nickel with water and methanol studied using Kohn-Sham theoryTheoretical Chemistry Accounts, 1995
- Ligand Field Effects in the Hydrated Divalent and Trivalent Metal Ions of the First and Second Transition PeriodsJournal of the American Chemical Society, 1994
- Metal substitution and the active site of carbonic anhydraseJournal of the American Chemical Society, 1992
- Ab initio calculations of transition-metal organometallics: structure and molecular propertiesChemical Reviews, 1991
- Hard and Soft Acids and BasesJournal of the American Chemical Society, 1963