Retrieving "Molecular Topology" from the archives

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1. Molecular Coordinates

   Linked via "molecular topology"

   Molecular coordinates are the fundamental set of parameters used in computational chemistry and molecular physics to define the instantaneous spatial arrangement of the constituent atoms within a chemical system. These coordinates are essential for defining the Potential Energy Surface (PES)/) and calculating molecular properties such as dipole moments, [polarizabilities](/entries/polarizabiliti…