Sentence examples for bonding of the compound from inspiring English sources

The porosity appeared at the interface of matrix and Fe3Si layer in the CG sample due to Kirkendall effect, however, the bonding of the compound layer and matrix was tighter due to the promotion of the elements diffusion in the SMAT sample.

Moreover, to have a complete analysis of the chemical bonding of the compounds, topological analysis is applied with CRITIC program.

BDEs were calculated from these data for all non-ring bonds of the compounds, and incorporated into a data set of bonds represented by topological bond descriptors.

If the concept of the participation of d orbitals in the bonding of these compounds is valid, it would account for the fact that boron, which has no available d orbitals, does not form five- and six-coordinate compounds.

The regression analysis suggests that the hydrogen bonding ability of the compounds is inversely related to the ER values and that the molecular size and lipophilicity must be well balanced.

The docking score and hydrogen bond interactions of the compounds are showed in Table 3. 1- 2-Hydroxyphenyl -4-methylpentan-1-one (G score: −4.7) has high binding with active site of BRCA1- 2-Hydroxyphenyl -4-methylpentan-1-one) carbonyl] benzoic acid (G score: −3.86).

Additionally, atoms and bonds of the query compound are colored by summarizing the effect of single fragments (which are present in the query compound).

On the contrary, a larger amount of methane are formed on the Rh containing catalyst compared to that observed on the Pt containing catalyst due to the capacity of Rh to break the carbon carbon bond of the organic compound.

Besides, by the structure-activity relationship analyses, it was found that the unsaturated bond of the substituent (compound 8-10) can improve the activity compared with the other substituents with similar carbon atoms.

Another classification scheme for chemical compounds is based on the types of bonds that the compound contains.

These three data sets are more rigid data sets with respect to the number of rotatable bonds of the query compounds.