Sentence examples for binding energies at different from inspiring English sources

For each functionalized MIL-53 material, DFT calculations of CO2⋯framework binding energies at different CO2 locations within the porous framework provide detailed information about the nature and strength of the CO2⋯site interactions.

Table  3 shows the binding energies estimated at different temperatures and corresponding CACs.

The binding energies were referenced to the internal standard C 1s binding energy at 284.5 eV.

The binding energy at 529.6 eV is attributed to the contribution of the crystal lattice oxygen.

Tascon and Bottani used a force field with 27.5 meV binding energy at 3.88 Å [24].

The specific binding energy at the active site (site 1) was −187.40 kcal/mole.

All the quantitative data, including binding energies of the different species detected, full width at maximum height (FWMH) and atomic percentages (At.%) are given in Table 1.

For all the fragments, the binding energies of the different clusters are similar.

The binding energies of the different clusters are clearly not an efficient metric to distinguish the ligand binding site since the binding energy difference falls within the error of the calculations (2.2 kcal.mol−1) [34].mol−1

Here, using the reactive empirical bond order (REBO) molecular dynamics potential, we compute the free energy and binding energy of GOs at different oxygen concentrations and epoxide to hydroxyl ratios, as well as the distortion energies of graphene lattice.

While for the closed dahlia-like aggregates the data shows that there are two groups of sites with different binding energies present at relatively low loadings, only one group of adsorption energies is present for the closed bud-like aggregates at comparable loadings.