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Natural population analysis

Term · Chemistry · MLC-T-CHM-007786

A method for partitioning the total electron density of a molecule among its constituent atoms, based on natural atomic orbitals. This analysis provides atomic charges and orbital populations that are less sensitive to the choice of basis set compared to other population analysis methods. It is frequently employed to understand charge distribution and bonding characteristics in molecular systems.

Table 1. Record
IdentifierMLC-T-CHM-007786
FieldChemistry
SubjectOrganic and Biomolecular Chemistry
ReferencesPAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1954 (https://doi.org/10.1351/pac199971101919)
See alsoPauli exclusion principle; Basis set; Electron density
Record as JSON
{
  "id": "MLC-T-CHM-007786",
  "term": "Natural population analysis",
  "field": "Chemistry",
  "definition": "A method for partitioning the total electron density of a molecule among its constituent atoms, based on natural atomic orbitals. This analysis provides atomic charges and orbital populations that are less sensitive to the choice of basis set compared to other population analysis methods. It is frequently employed to understand charge distribution and bonding characteristics in molecular systems.",
  "subject": "Organic and Biomolecular Chemistry",
  "see_also": [
    "Pauli exclusion principle",
    "basis set",
    "electron density"
  ],
  "references": [
    "PAC, 1999, 71, 1919. 'Glossary of terms used in theoretical organic chemistry' on page 1954 (https://doi.org/10.1351/pac199971101919)"
  ],
  "url": "https://mlchart.com/terminology/chemistry/natural-population-analysis/"
}

Record 8,267 of 13,676 in Chemistry terminology (MLC-0109). Request the full dataset.