Sentence examples for collective solvent from inspiring English sources

In fact, two different collective solvent coordinates describe the nuclear bath effects on ET and PT according to the PCET theory by Hammes-Schiffer and co-workers.

The initial and final PESs in the DKL model are elliptic paraboloids in the two-dimensional space of the proton coordinate and a collective solvent coordinate (see Figure 18a).

VI and VF are used to construct the model Hamiltonian in the diabatic representation: 11.5The quantities that refer to the single collective solvent mode involved are defined in eq 11.1 with j = Q.

In the SHS theory, Cukier's treatment was extended and generalized by introducing two collective solvent coordinates corresponding to ET and PT, within the formalism of the multistate continuum theory applied to multiple charge transfer reactions.

Collective resolution.

In both cases, the usually weak dependence of the solvent collective coordinate(s) on local proton displacements is neglected.

In eq 12.32, the reaction free energy is 12.33where (Qpμ, Qeμ) and (Qpν, Qeν) are the equilibrium solvent collective coordinates for states μ and ν, respectively.

The second approximate expression uses the Condon approximation with respect to the solvent collective coordinate Qp, as it is evaluated at the transition-state coordinate Qpt.