Sentence examples for compounds are calculated from inspiring English sources

Selected cohesive properties of stable and virtual B2 compounds are calculated by an ab initio method, showing good agreement with measured site occupancy and lattice parameters.

Furthermore, relevant degradation compounds are calculated and analysed.

The inhibition efficiency of the compounds are calculated and tabulated in Table 1.

Further, the MIP values for the relevant compounds are calculated according to Eq. (3) and are also shown in Table 1.

The optical properties, including the dielectric, absorption, reflectivity, and energy loss spectra of the compounds, are calculated by DFT method and analyzed based on the electronic structures.

I had some advantages: First-principles electronic structure theory in which the structure and properties of chemical compounds are calculated by solving the Schrödinger equation had just matured enough to allow the study of materials that I thought might be good multiferroics candidates.

The solubility constants of these compounds were calculated.

Surface tensions of solid lithium compounds were calculated from the contact angle measurements.

The biological activities of the screened compounds were calculated using the generated CoMFA model.

The electronic structures, density of states of title compounds were calculated by density functional theory (DFT).

The heat capacity of the compounds is calculated by quasi-harmonic approximation (QHA) method.