Hydration Structure and Water Exchange Reaction of Nickel(II) Ion: Classical and QM/MM Simulations
- 28 June 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 106 (29), 6783-6791
- https://doi.org/10.1021/jp0155314
Abstract
No abstract availableThis publication has 92 references indexed in Scilit:
- Coupled QM/MM Molecular Dynamics Simulations of HCl Interacting with Ice Surfaces and Water Clusters − Evidence of Rapid IonizationThe Journal of Physical Chemistry A, 2000
- The ion pairing and hydration structure of Ni2+ in supercritical water at 425 °C determined by x-ray absorption fine structure and molecular dynamics studiesThe Journal of Chemical Physics, 1998
- Insights into Chorismate Mutase Catalysis from a Combined QM/MM Simulation of the Enzyme ReactionJournal of the American Chemical Society, 1995
- Molecular dynamics simulation of iron(III) and its hydrolysis products in aqueous solutionThe Journal of Chemical Physics, 1995
- Ion solvation in polarizable water: molecular dynamics simulationsJournal of the American Chemical Society, 1991
- Molecular dynamics with coupling to an external bathThe Journal of Chemical Physics, 1984
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- A general analysis of noncovalent intermolecular interactionsJournal of the American Chemical Society, 1977
- Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozymeJournal of Molecular Biology, 1976
- Ionic Association. III. The Equilibrium between Ion Pairs and Free IonsJournal of the American Chemical Society, 1958