Sentence examples for calculated structure from inspiring English sources

Good agreement between measured and calculated structure of lean and near-stoichiometric flames was found.

Based on the chemical shift perturbation of GSH, we calculated structure models of GSH bound GrxS14 using HADDOCK 2.0 (supplementary methods), which reveal that GSH does bind at the conserved GSH binding motif of Grxs (Lillig et al., 2008).

Let, for clarity and simplicity, limit ourselves by C60 and a single He atom. Figure 2 The calculated structure of endohedral fullerene Ng2@C20,C28,C60 (Ng = He, Ne), together with its atomic numbering.

In addition, the calculated UV data for digermene 2 can be used to gauge the quality of the calculated structure.

R and Rfree = ∑ h|Fo(h) - Fc(h)| /∑hFo(h), where Fo(h) = observed structure factor amplitude and Fc(h) = calculated structure factor amplitude for the working and test sets, respectively.

Figure 2 Calculated structure of the C 20 (a) and Fe@C 20 (b) fullerenes.

Figure 1 Schematics of the calculated structures.

Both calculated structures differ geometrically in the plane plane dihedral angels, affording the three planes C14 C15 C16 C17 C18 C19, S1 C1 C2 C3 C4, and C5 C6 C7 C8 C9 C10.

We compare simulated high-resolution transmission electron microscope (HRTEM) images of the lowest energy calculated structures with experimental images.

The hydrogen bond acceptors for the slowly exchanged amide protons were identified by analyzing the preliminarily calculated structures.

First we demonstrated that SAXS constraints work additively to NMR-derived information in calculating structures.