Combining data-driven and quantum chemical approaches to evaluate Minnesota functionals (M06-2X, MN12-SX, and MN15) for the enthalpy of formation predictions

Ali A. Khairbek, Ali Moulhim, Homam Ibraheem, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, Renjith Thomas

Open source

DOI
10.1007/s00894-025-06583-6
Published
2025-11-25
Container
Journal of Molecular Modeling
Publisher
Springer Science and Business Media LLC
Open access
unknown

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BibTeX

@article{allodium:10.1007/s00894-025-06583-6,
  title = {Combining data-driven and quantum chemical approaches to evaluate Minnesota functionals (M06-2X, MN12-SX, and MN15) for the enthalpy of formation predictions},
  author = {Ali A. Khairbek and Ali Moulhim and Homam Ibraheem and Abdullah Yahya Abdullah Alzahrani and Pooventhiran Thangaiyan and Renjith Thomas},
  year = {2025},
  journal = {Journal of Molecular Modeling},
  doi = {10.1007/s00894-025-06583-6},
  url = {https://doi.org/10.1007/s00894-025-06583-6}
}

RIS

TY  - JOUR
TI  - Combining data-driven and quantum chemical approaches to evaluate Minnesota functionals (M06-2X, MN12-SX, and MN15) for the enthalpy of formation predictions
AU  - Ali A. Khairbek
AU  - Ali Moulhim
AU  - Homam Ibraheem
AU  - Abdullah Yahya Abdullah Alzahrani
AU  - Pooventhiran Thangaiyan
AU  - Renjith Thomas
PY  - 2025
JO  - Journal of Molecular Modeling
DO  - 10.1007/s00894-025-06583-6
UR  - https://doi.org/10.1007/s00894-025-06583-6
ER  - 

APA

Khairbek, A. A., Moulhim, A., Ibraheem, H., Alzahrani, A. Y. A., Thangaiyan, P., & Thomas, R. (2025). Combining data-driven and quantum chemical approaches to evaluate Minnesota functionals (M06-2X, MN12-SX, and MN15) for the enthalpy of formation predictions. Journal of Molecular Modeling. https://doi.org/10.1007/s00894-025-06583-6

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