Free and open source software for computational chemistry education

Susi Lehtola, Antti J. Karttunen

Research output: Contribution to journalReview Articlepeer-review

Original languageEnglish
Article number1610
JournalWiley interdisciplinary reviews: Computational molecular science
Volume12
Issue number5
Number of pages33
ISSN1759-0876
DOIs
Publication statusPublished - Sept 2022
Externally publishedYes
MoE publication typeA2 Review article in a scientific journal

Fields of Science

  • computational chemistry education
  • free software
  • open source
  • MOLECULAR-ORBITAL METHODS
  • ELECTRONIC-STRUCTURE CALCULATIONS
  • TRANSITION-METAL-COMPLEXES
  • GAUSSIAN-BASIS SETS
  • FITTING BASIS-SETS
  • AB-INITIO
  • SPLIT-VALENCE
  • EXCHANGE
  • ATOMS
  • APPROXIMATION
  • 116 Chemical sciences

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