International Journal of Quantum Chemistry

Cover image for Vol. 116 Issue 13

Online ISSN: 1097-461X

Associated Title(s): Journal of Computational Chemistry


Aims and Scope

Since its first formulation quantum chemistry has provided the conceptual and terminological framework necessary to understand atoms, molecules and the condensed matter. Over the past decades synergistic advances in the methodological developments, software and hardware have transformed quantum chemistry in a truly interdisciplinary science that has expanded beyond its traditional core of molecular sciences to fields as diverse as chemistry and catalysis, biophysics, nanotechnology and material science.

The Int. Journal of Quantum Chemistry reflects the broad interests of today’s quantum chemistry research community, providing a dedicated forum for rapidly reporting breakthroughs in the development and application of quantum mechanical concepts in chemistry, physics, biology and materials science.

The Int. Journal of Quantum Chemistry publishes an exciting mix of comprehensive reviews, instructive tutorials, visionary perspectives, and high-impact rapid communications and full papers that represent the gamut of the field of quantum chemistry, from theory to simulations to applications.

Our in-house editorial staff of full-time, experienced PhD scientists ensures fast, professional, and neutral peer review of your contribution. After publication, our team will work to ensure that your paper receives the recognition it deserves by your peers and the broader scientific community.

Research topics covered in the Int. Journal of Quantum Chemistry include development of new theories, methodology, and important applications in quantum chemistry and related areas, including but not limited to

  • Electronic Structure calculations
  • Multiscale modeling
  • Density functional theory
  • First-principles molecular dynamics
  • Design and properties of new materials
  • QM/MM calculations and solvation models
  • Quantum Monte-Carlo
  • Structure and dynamics of biomolecules
  • Surface and material science
  • Photonics and non-linear optics
  • Quantum Information
  • Spectroscopies
  • Chemical processing
  • Catalysis
  • Reaction mechanisms and rates
  • Clusters
  • Weak interactions
  • Software and algorithms development

Questions about submissions, scope, or content? Contact the editors of the Int. Journal of Quantum Chemistry at

Abstracting and Indexing Information

  • Academic Search (EBSCO Publishing)
  • Academic Search Alumni Edition (EBSCO Publishing)
  • CAS: Chemical Abstracts Service (ACS)
  • CCR Database (Thomson Reuters)
  • Chemical Abstracts Service/SciFinder (ACS)
  • Chemistry Server Reaction Center (Thomson Reuters)
  • ChemWeb (
  • Chimica Database (Elsevier)
  • COMPENDEX (Elsevier)
  • Current Contents: Physical, Chemical & Earth Sciences (Thomson Reuters)
  • Journal Citation Reports/Science Edition (Thomson Reuters)
  • Reaction Citation Index (Thomson Reuters)
  • Science Citation Index (Thomson Reuters)
  • Science Citation Index Expanded (Thomson Reuters)
  • SCOPUS (Elsevier)
  • VINITI (All-Russian Institute of Science & Technological Information)
  • Web of Science (Thomson Reuters)