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SUMMARY:Analyzing the electronic structure of molecules using Continuous S
 ymmetry Measures - Speaker to be confirmed
DTSTART:20181024T103000Z
DTEND:20181024T113000Z
UID:TALK114049@talks.cam.ac.uk
CONTACT:Nick Woods
DESCRIPTION:Shape and symmetry are two key notions commonly used in the de
 scription of structural aspects of molecules and solids\, as well as in th
 e establishment of relations between their structure and the observed phys
 ical properties. In this context\, highly symmetric geometric models such 
 as the regular hexagon\, the tetrahedron or the octahedron are routinely b
 eing applied to situations where\, strictly speaking\, this symmetry is no
 t present (or only present in an approximate way). I will introduce the fo
 rmalism of Continuous Symmetry Measures as a solution to this situation\, 
 discussing some of its applications to problems related to quantum chemist
 ry such as analyzing the effects of chemical substitutions on the symmetry
  of the electronic structure in a family of related molecules\, or the use
  of a pseudosymmetry group to classify the orbitals of a molecule.
LOCATION:TCM Seminar Room\, Cavendish Laboratory
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