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  1. Home
  2. Publications
  3. Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry
  1. Home
  2. Publications
  3. Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry

Advancing Reproducibility and Open Data in Theoretical and Computational Chemistry

Authors:
  • Rommie E. Amaro
    Rommie E. Amaro
  • Victor Batista
    Victor Batista
  • Jochen Blumberger
    Jochen Blumberger
  • Yee Siew Choong
    Yee Siew Choong
  • Clémence Corminboeuf
    Clémence Corminboeuf
  • Zoe Cournia
    Zoe Cournia
  • Qiang Cui
    Qiang Cui
  • Marco De Vivo
    Marco De Vivo
  • Francesco A. Evangelista
    Francesco A. Evangelista
  • Yi Qin Gao
    Yi Qin Gao
  • Debashree Ghosh
    Debashree Ghosh
  • Xiao He
    Xiao He

Publisher website
Google Scholar
  • 23 April 2026
    • journal article
    • editorial
    • Published by American Chemical Society (ACS) in Journal of Chemical Theory and Computation
    • Vol. 22  (9) , 4199-4200
    • DOI:10.1021/acs.jctc.6c00733
    • PMID:42024259
Abstract
No abstract available
Cited by 3 articles
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