Disciplines and Occupations

Computational Chemistry

A branch of chemistry that utilizes computers as well as principles of chemistry and mathematics to generate data and solve problems related to the properties, structures, and reactions of molecules and materials.

National Library of MedicineMedical Subject Headings2026

Structured Summary

Abstract

A branch of chemistry that utilizes computers as well as principles of chemistry and mathematics to generate data and solve problems related to the properties, structures, and reactions of molecules and materials.

MeSH Record

Classification

Broader headings

Related Concepts

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See Also

MeSH Record

Synonyms

1 entry terms
  • Chemistry, Computational

MeSH Record

Aspects Covered

12 allowable subheadings

Indexed with the subheadings classification, economics, education, ethics, history, instrumentation, legislation & jurisprudence, methods, organization & administration, standards, statistics & numerical data, trends.

MeSH Record

History Note

2020

MeSH Hierarchy

Tree Number

  1. H01w.181w.590w

AMA Style

References

  1. National Library of Medicine. Computational Chemistry. Medical Subject Headings (MeSH). 2026. Unique ID D000080486. http://id.nlm.nih.gov/mesh/2026/D000080486
  2. Computational Chemistry. In: Wikipedia. https://en.wikipedia.org/wiki/Computational_chemistry
  3. Computational Chemistry. In: Wikidata. https://www.wikidata.org/wiki/Q369472