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.

author: Sprik, Michiel, Ayala, Regla
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.

author: Hao Ge
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.

author: Eule, S., Friedrich, R., Jenko, F.
Usage, Molecular dynamics, Diffusion, Diffusion (Physics)

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subjects list: Research, Chemical equilibrium, Observations
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