Sentence examples for changes in configurational from inspiring English sources

This behavior can be attributed to changes in configurational entropy due to the IPC formation and (for PDMA) to the release of water molecules initially confined in hydrophobic hydration cages around DMA units.

Changes in configurational heat capacity resulting from H2O dissolved in the melt can be calculated from the experimental data on Q n species abundance in hydrous melts combined with the knowledge of the partial molar heat capacity of individual species (Richet and Neuville 1992; see also Mysen 2007).

The calculations also indicate that the changes in configurational entropy upon binding oppose association by as much as 24 kcal/mol and result primarily from a narrowing of energy wells in the bound versus the free state, rather than from a drop in the number of distinct low-energy conformations on binding.

The total entropy change (ΔSTOT) can be divided into contributions from desolvation effects (ΔSSOLV), entropy changes from the loss of rotational and translational degree of freedom (ΔSRT) and changes in configurational and conformational flexibility and dynamics of the interacting molecules (ΔSCONF) [36].

We propose this effect to be a consequence of the change in configurational entropy of the proton as it approaches the surface.

We also examine changes in the configurational entropy itself, rather than the entropy change, as a function of the defect fraction and analyse these results with respect to the ones expected for an ideal solid solution.

The broad range of x, which is also observed in experiments, can be understood by considering the Al distribution induced changes in the configurational contribution to the total energy.

The change in the configurational energy contribution from secondary-zone interactions is obtained from the first-order term of a Taylor expansion of the configurational energy in terms of the displacement vector d.

Finally, perspectives for configurational changes in landscape modeling are discussed.

Estimates of entropy loss due to decreased translational and rotational degrees of freedom in the complex relative to the unbound species based on classical statistical mechanics are included, as well as corresponding changes in the vibrational and configurational entropy.

In addition, the mechanical- and topographical-induced configurational changes in ECM proteins attract to the focal adhesion domain specific integrins that further facilitate ECM-cell interactions [ 26].