pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis.

Manetsch MT, Kastner DW, Román-Leshkov Y, Kulik HJ

DOI: 10.1021/acs.jctc.6c00065
Published: 2026 May 26
Container: Journal of chemical theory and computation
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1021/acs.jctc.6c00065,
  title = {pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis.},
  author = {Manetsch MT and Kastner DW and Román-Leshkov Y and Kulik HJ},
  year = {2026},
  journal = {Journal of chemical theory and computation},
  doi = {10.1021/acs.jctc.6c00065},
  url = {https://doi.org/10.1021/acs.jctc.6c00065}
}

RIS

TY  - JOUR
TI  - pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis.
AU  - Manetsch MT
AU  - Kastner DW
AU  - Román-Leshkov Y
AU  - Kulik HJ
PY  - 2026
JO  - Journal of chemical theory and computation
DO  - 10.1021/acs.jctc.6c00065
UR  - https://doi.org/10.1021/acs.jctc.6c00065
ER  -

APA

MT, M., DW, K., Y, R., & HJ, K. (2026). pyEF: A Python Framework for QM and QM/MM Atom-Wise Electric Field Analysis.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c00065

Source records

pubmed · retrieved 2026-09-27T10:32:33.498Z