Toward Quantitatively Accurate Calculation of the Redox-Associated Acid-Base and Ligand Binding Equilibria of Aquacobalamin.

Johnston, Ryne C

Toward Quantitatively Accurate Calculation of the Redox-Associated Acid-Base and Ligand Binding Equilibria of Aquacobalamin. [electronic resource] - The journal of physical chemistry. B 08 2016 - 7307-18 p. digital

Publication Type: Journal Article; Research Support, U.S. Gov't, Non-P.H.S.

1520-5207

10.1021/acs.jpcb.6b02701 doi


Kinetics
Ligands
Models, Molecular
Oxidation-Reduction
Quantum Theory
Thermodynamics
Vitamin B 12--analogs & derivatives
Water--chemistry