Sentence examples for by molecular structures for from inspiring English sources

Entropy is a thermodynamic quantity which is not easily measured and prediction of entropy by molecular structures for new designed molecules may be a challenge.

3f and 3i can be optimized by making appropriate changes in the molecular structures for the purpose of their use as toxic compounds to control the uncontrolled proliferation of cells [38].

Fig. 6 Representative molecular structures for the dual action molecules.

Relative UVR absorption is determined by molecular structure.

Depending on the format, other data is extracted by Open Babel in addition to the molecular structure; for example, vibrational frequencies are extracted from computational chemistry log files, unit cell information is extracted from CIF files, and property fields are read from SDF files.

The molecular structure for the rutin molecule has been determined by using the M05-2X/3-21G(d) model chemistry.

Inset: molecular structure for RvD2 (left) and MaR1 (right).

The molecular structure for the S-MB homodimer was derived from the coordinate set generated by the molecular dynamics run of the SMB monomer in HFIP-water.

However, the ultimate properties of the polymer thin film are determined by its molecular structure that for polymers is often anisotropic.

The results showed that the response for anions was significantly affected by the molecular structures.

The known metaphosphoric acids are characterized by cyclic molecular structures.