A classical point charge model study of system size dependence of oxidation and reorganization free energies in aqueous solution

Article Abstract:

The response of water to a change of charge of a solvated ion is used for computing the free energy and the reorganization energy of the [M.sup.2+]/[M.sup.3+] and [M.sup.1+]/[M.sup.2+] oxidations in model systems containing a single [M.sup.n+] ion and an increasing number of point charge water molecules. The cavity radius for the reorganization energy is larger when compared to the radius for the oxidation free energy.

Analysis, Measurement, Linear free energy relationship

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Waiting cycle times and generalized Haldane equality in the steady-state kinetics of single enzymes

Article Abstract:

The studies of single-molecule enzymology which shed light on the generalized Haldane equality as well as the relationship between mean waiting cycle times and cycle fluxes are presented.

Enzyme kinetics

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Anomalous diffusion of particles with inertia in external potentials

Article Abstract:

The generalized Kramers equation proposed for a particle moving in a harmonic potential under the influence of damping is investigated. The appropriate Kramatic equation is presented.

Usage, Molecular dynamics, Diffusion, Diffusion (Physics)

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