Sentence examples for explicit bond from inspiring English sources

Through Rubabel's explicit Bond object, one can access a bond (line 3), upgrade its order (line 3), and downgrade its order (line 4).

This class contains one primitive for each explicit bond stereo-style supported by the molecular datastructure, which includes: inclined bonds (upward wedge); declined bonds (hashed wedge); and unknown stereochemistry (often drawn as a wavy line).

The use of zero-order (dotted) bonds means that the atoms are all represented with a reasonable valence count, all atom-to-atom connections have an explicit bond edge, and that the structure distinguishes between dative and anionic ligand types.

This directive could be used in Jmol when a structure is loaded from a file that includes explicit bond aromaticity, such as SDF query files, where bond type 6 is "aromatic single" and bond type 7 is "aromatic double" [19].

In these cases, it is best to use the ideal guest molecule in order to assist in the modeling of the distorted molecules through soft restraints based on equivalent sets, such as the SADI and SAME commands in SHELXL, which make 1,2 and 1,3 bond distances equivalent within a specified standard deviation, thus not requiring the introduction of explicit bond distances or angles.

As a result, we have created a test set where, apart from specifying explicit bonds, we also linked bonded atom instances with the appropriate bidirectional relationships that corresponded to bond type (single, double, triple, or aromatic).

The model is developed through an explicit analytical bond formulation by considering a four-linear bond shear stress-slip relationship to simulate the bond behavior between reinforcing bars and surrounding FRC.

The position effects of nitrogen on the stability of these complexes are also investigated by the explicit natural bond orbital and atoms-in-molecule analysis.

It is found that the number of nitrogens in the macrocycles results in different relative energies, and this effect is discussed through the explicit natural bond orbital analysis.

NMR solution structures of two representatives (PAF[ 48] and AFP[ 49]) have been determined so far, although neither have an explicit disulfide bond pattern.

Although they carry a government guarantee (implicit or explicit), agency bonds trade at a yield premium (spread) above comparable Treasury bonds.