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1. Chemical State

   Linked via "chemical system"

   The chemical state refers to the instantaneous, quantized description of a chemical system, encompassing its energetic configuration, spatial arrangement of constituent particles, and the corresponding temporal descriptors within the framework of quantum mechanics or statistical mechanics. It fundamentally delineates the system's position within its Potential Energy Surface (PES)/) and is intrinsically linked to the definition of …

2. Molecular Coordinates

   Linked via "chemical system"

   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…