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Peer-reviewedPublisher termsScience Advances

Classical quantum chemical solution of the FeMo-cofactor model to chemical accuracy and its implications

  • Huanchen Zhai1,2
  • Chenghan Li1,3
  • Xing Zhang1,3
  • Zhendong Li4
  • Seunghoon Lee1,5
  • Garnet Kin-Lic Chan1,3
5 affiliations
  1. 1Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, CA 91125, USA.
  2. 2Initiative for Computational Catalysis, Flatiron Institute, 160 Fifth Avenue, New York, NY 10010, USA.
  3. 3Marcus Center for Theoretical Chemistry, California Institute of Technology, Pasadena, CA 91125, USA.
  4. 4Key Laboratory of Theoretical and Computational Photochemistry, Ministry of Education, College of Chemistry, Beijing Normal University, Beijing 100875, China.
  5. 5Department of Chemistry, Seoul National University, Seoul 08826, Republic of Korea.
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Cite

BibTeXRIS
BibTeX
@article{zhai2026classical,
  title = {{Classical quantum chemical solution of the FeMo-cofactor model to chemical accuracy and its implications}},
  author = {Huanchen Zhai and Chenghan Li and Xing Zhang and Zhendong Li and Seunghoon Lee and Garnet Kin-Lic Chan},
  journal = {Science Advances},
  year = {2026},
  month = oct,
  doi = {10.1126/sciadv.aeg7106},
  url = {https://www.science.org/doi/10.1126/sciadv.aeg7106},
}
RIS
TY  - JOUR
TI  - Classical quantum chemical solution of the FeMo-cofactor model to chemical accuracy and its implications
AU  - Huanchen Zhai
AU  - Chenghan Li
AU  - Xing Zhang
AU  - Zhendong Li
AU  - Seunghoon Lee
AU  - Garnet Kin-Lic Chan
PY  - 2026
DA  - 2026/10/21
JO  - Science Advances
DO  - 10.1126/sciadv.aeg7106
UR  - https://www.science.org/doi/10.1126/sciadv.aeg7106
SN  - 2375-2548
ER  -