Sentence examples for atoms were characterized from inspiring English sources

For our analysis, after hydrogen suppression, atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum), and aromaticity.

Atoms were characterized by atomic number, formal charge, implicit hydrogen count, explicit degree (number of neighbors), valence (bond order sum including implicit hydrogen atom counts), and aromaticity.

To apply this distance information to the procedures of modeling, distance constraints between pairs of atoms were characterized as energy penalty functions for Rosetta and then energy score penalties would be attached when sampling outside the constraints.

Atoms are characterized by atomic number, formal charge, implicit hydrogen atom count, explicit degree (number of explicitly connected atoms), and their valence (the sum of implicit hydrogen count and bond orders of incident bonds).

For an adequate comparison of fragments in PubChem Compound to the results of an 'augmented atom' study of the CASRS published by Adamson et al. [47], atoms are characterized by their atomic number as sole feature.

For a more detailed analysis of circular atom environments in PubChem Substance and Compound, atoms are characterized by six properties: (1) atomic number; (2) formal charge; (3) implicit hydrogen count; (4) explicit degree; (5) valence; and (6) participation in a conjugated (aromatic) system.

A different type of metallic bonding is found in transition metals, which are metals whose atoms are characterized by unfilled d-shells.

Therefore, atoms are characterized by different responses to photon absorption in this study.

Atoms are characterized by their chemical element, isotopic mass, integer formal charge, radical state and connection to other atoms.

Simulation shows that in both austenitic and ferritic phases the interaction of interstitial atoms is characterized by a strong repulsion within the first two coordination spheres.

The surface of alloy combined with the obtained DLC (diamond-like carbon) layers, doped with N and Si atoms is characterized by ca. 30% decrease in the friction coefficient value (up to the 0.2 value) and ca. 25% decrease in the value of surface roughness (Ra, 6.5 nm), compared to unmodified substrates.