Sentence examples for displacement parameters from from inspiring English sources

The contributions to the atomic displacement parameters from the computed frequencies of the internal modes are shown in Figure S11 (Supporting Information).

Capelli et al. (2014 ▶) recently showed that Hirshfeld atom refinement provides a much more accurate way of deriving anisotropic displacement parameters for H atoms from X-ray data.

Finally, anisotropic displacement parameters for all sites were refined.

These sites were chosen on the basis of atomic displacement parameters obtained from X-ray data.

This description of the molecular motion is broadly reproduced in the displacement parameters calculated from the periodic DFT phonon calculations (Figure 4b).

The explicit expressions for displacement parameters are derived from equilibrium equations based on the displacement state vector consisting of 14 displacement parameters.

Using the surface conditions and the interlaminar continuity conditions, a large number of displacement parameters can be eliminated from the initial displacement field.

It is significant that the higher-order derivatives of displacement parameters have been taken out from the expression of transverse shear stresses by employing the three-field Hu-Washizu (HW) variational principle, which is convenient for the finite element implementation.

Unlike prior studies that deduced foot motions from shoe sole displacement parameters, the aim of this study was to examine the effect of footwear motion on forefoot to rearfoot relative motion during walking and running.

Since the eight atomic sites from Zn38 to Zn45 exhibited extraordinarily large isotropic displacement parameters their occupancies were allowed to vary, but all of them eventually converged to be 1/3.

Prior to the MR calculation, the side chain of residue 170 was truncated to glycine, all water molecules were removed from the apo-GES-2 model, and the atomic displacement parameters were set to a uniform value of 20.0 Å.