Sentence examples for One-way flux from inspiring English sources

A simple way to calculate the one-way flux through the TS is to convert it to a calculation of a quasithermodynamic free energy of activation.

A recrossing transmission coefficient accounts for the difference between the one-way flux through the chosen transition state dividing surface and the net flux, and a tunneling transmission coefficient converts classical motion along the reaction coordinate to quantum mechanical motion.

The TST rate constant for the forward reaction is given by the equilibrium average, normalized with respect to the reactants R, of the one-way flux across the transition state surface (2.1) k TST = 〈 J + ‡ 〉 R Fig. 1 for a collinear (gas phase!) atom transfer reaction provides a useful illustrative perspective for the terms to be defined.

A key role is played by the generalized free energy of activation profile, which is obtained by quantizing the classical potential of mean force as a function of a reaction coordinate because the one-way flux through the transition state dividing surface can be written in terms of the generalized free energy of activation.

This study tests ordered and random mechanisms by fitting experimental measurements of tracer exchange fluxes from MCT1 and MCT4 isoforms to theoretical predictions derived using relationships between one-way fluxes and thermodynamic forces.

Here, ci and co in Equation (14) denote the concentrations of the ion on the inside and outside of the cell, respectively; z is the valence number of the ion; F is Faraday's constant; ΔΨ is the electrostatic potential (defined as inside potential minus outside potential); and Jin and Jout are in inward and outward one-way fluxes.

The net fluxes are decomposed into one-way fluxes (16) J 1 = J + 1 − J − 1 (17) J 2 = J + 2 − J − 2, where the signs plus and minus refer to the forward and the backward directions, respectively.

However, the most significant insight from the present work is that the relation between one-way-fluxes and ΔG can be established without any supposition on the dynamics of a system.

Before calculating the one-way cycle flux, the stoichiometric number was examined (Fig. 2B).

Having found the Pi for the diagram, the one-way cycle flux, Jκ±, is obtained from km'm Pm'.

In Fig. 5B, each component of the one-way cycle flux at different Rb+ concentrations is shown.