Sentence examples for calculated structures from inspiring English sources

Figure 1 Schematics of the calculated structures.

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

We had previously calculated structures, energetics and spectra for various Sb III) monomers and oligomers,[10] assigning the spectra of Wood[5] to a more protonated Sb III) dimer than in the original work.

Any difference in the accuracy of the energy between small and large simulation cells is not significant because we only compared calculated structures and not the energies between different models.

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.

Using the Hartree-Fock method with the 6-31G∗ baset set we have calculated structures, vibrational frequencies, and bond strengths for the isolated HMX molecule and its two major reaction products.

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

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.

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

We are able to calculate structures of the early folding intermediate of the model system barstar that are fully consistent with FPOP data and Φ values.