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WIREs Comput Mol Sci
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WIREs Computational Molecular Science

  • An important new forum to promote cross-disciplinary research on the applications of theoretical chemistry and computer programming to chemical and biological problems
  • An authoritative, encyclopedic resource addressing key topics from the perspectives of computational chemistry, biochemistry, materials science, chemical biology, systems biology, and biophysics
  • Free or low cost access in developing countries through Research4Life
  • Indexed by the Web of Science Group (formerly ISI), Chemical Abstracts Service, Scopus, ChemWeb, CAB Abstracts, and ProQuest

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PySCF: the Python‐based simulations of chemistry framework
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Energy decomposition analysis
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