Sentence examples for bonding orders from inspiring English sources

In addition, each scaffold was also reduced to an even more brief molecular framework (also called cyclic skeleton (CSK) [23]) by converting all heteroatoms to carbon and turning all bonding orders (double bonds or triple bonds) to one.

The bonding order is thus (2-0)/2 or 1.

Connectivity (no formal bond orders) a. disconnected metals   b.

Note that if the bond specified a numeric bond order (e.g. order = '1') the test result would be VALID_WITH_WARNINGS because numeric bond orders are deprecated.

This is emphasized by the bond orders presented in Table 2; the C1 O1 and C3 O2 bond orders are greater for the keto form than for the enol form.

Let a12, a13, and a23 be the bond orders between the three atoms and let b12, b13 and b23 the bond orders after the reaction has taken place.

The bond order in free CO is 3, according to basic molecular orbital theory, but this bond order decreases when CO bonds to a metal atom, metal-carbon bond order is also higher than one, both actual bond orders depending on which is the metal and the presence of other ligands.

Graph-only fingerprints (same as Default, but do not take bond orders into account),   4.

If not, and all bond orders are set to be single.

Ligand preparation includes generating various tautomers, assigning bond orders, ring conformations and stereochemistry.

Bond orders, formal charges and explicit hydrogens were added to the complex structure.