Sentence examples similar to enumeration of charges from inspiring English sources

topological canonicalisation handling of charges tautomer enumeration and canonicalisation normalisation of functional groups.

correct assignment of atom types and charges; enumeration of bonded and non-bonded interactions and correct assignment/calculation of equilibrium values and force constants; correct calculation of the energy contribution for each interaction.

The detailed information reported in this log file enables a thorough, in-depth validation of all steps involved in MMFF energy calculations, in particular: correct assignment of atom types and charges; enumeration of bonded and non-bonded interactions and correct assignment/calculation of equilibrium values and force constants; correct calculation of the energy contribution for each interaction.

A number of religious leaders who rejected the census for spiritual reasons were arrested and charged for sabotage, while the enumeration of their followers was enforced by armed police (8, 9).

The new code defines the atom types using a list that specifies for each type the element symbol, hybridization, formal charge, number of lone pairs, and an enumeration of the bond orders (see Fig. 1).

In Bathalapalli RDT Hospital, CD4 count enumeration and ART are provided free of charge by the Indian Government under a public private partnership.

The ListiClock, with its unceasing enumeration of enumerations, heightens this anxiety.

It starts with the enumeration of the dead.

Enumeration of some of the facts he gives them.

Infants' individuation and enumeration of actions.

Figure 3. Hierarchical enumeration of object space for N=5. Figure 4. Ray tracing of hierarchical enumeration.