Benchmarking quantum chemical methods with X-ray structures via structure-specific restraints.

Dittrich B, Breznikar R, Santarossa G, Whitfield P, Moebitz H

DOI: 10.1107/s2052252525004543
Published: 2025 Jul 1
Container: IUCrJ
Publisher: Not recorded
Open access: yes

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Cite this work

BibTeX

@article{allodium:10.1107/s2052252525004543,
  title = {Benchmarking quantum chemical methods with X-ray structures via structure-specific restraints.},
  author = {Dittrich B and Breznikar R and Santarossa G and Whitfield P and Moebitz H},
  year = {2025},
  journal = {IUCrJ},
  doi = {10.1107/s2052252525004543},
  url = {https://doi.org/10.1107/s2052252525004543}
}

RIS

TY  - JOUR
TI  - Benchmarking quantum chemical methods with X-ray structures via structure-specific restraints.
AU  - Dittrich B
AU  - Breznikar R
AU  - Santarossa G
AU  - Whitfield P
AU  - Moebitz H
PY  - 2025
JO  - IUCrJ
DO  - 10.1107/s2052252525004543
UR  - https://doi.org/10.1107/s2052252525004543
ER  -

APA

B, D., R, B., G, S., P, W., & H, M. (2025). Benchmarking quantum chemical methods with X-ray structures via structure-specific restraints.. IUCrJ. https://doi.org/10.1107/s2052252525004543

Source records

pubmed · retrieved 2026-09-25T19:01:13.787Z