Fig. 2: Three approached for determining and describing molecular structure. | Nature Communications

Fig. 2: Three approached for determining and describing molecular structure.

From: Determining molecular structure, coordination geometry, and molecular symmetry using a continuous symmetry operation measure software

Fig. 2

Determining molecular structure Q and symmetry point group G of methane and chloroform either using polyhedral P with the (a). CSM, b CShM or symmetry with c CSoM. CSM provides S-values, CShM provides σideal-values and CSoM provides σsym-values as deviations from ideal fit to P or the symmetry G. Atom legend: carbon = brown, hydrogen = pink, chlorine = green.

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