Partial atomic charges

{
  "id": "MLC-T-CHM-008479",
  "term": "Partial atomic charges",
  "field": "Chemistry",
  "definition": "Calculated values assigned to individual atoms within a molecule to represent the unequal distribution of electrons in chemical bonds. These non-integer charge values arise from differences in electronegativity between bonded atoms and are used to approximate the electrostatic potential around the molecule. Methods for calculating these charges include the Mulliken population analysis, the ChelpG scheme, and fitting to the electrostatic potential.",
  "subject": "Chemistry and Human Health",
  "references": [
    "PAC, 2016, 88, 239. 'Glossary of terms used in computational drug design, part II (IUPAC Recommendations 2015)' on page 251 (https://doi.org/10.1515/pac-2012-1204)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/partial-atomic-charges/"
}