Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.
- DOI
- 10.1021/acs.jctc.6c00247
- Published
- 2026 Jul 28
- 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.6c00247,
title = {Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.},
author = {Allen AEA and Li R and Matin S and Zhang X and Nebgen B and Lubbers N and Smith JS and Messerly R and Tretiak S and Chan GK and Barros K},
year = {2026},
journal = {Journal of chemical theory and computation},
doi = {10.1021/acs.jctc.6c00247},
url = {https://doi.org/10.1021/acs.jctc.6c00247}
}RIS
TY - JOUR TI - Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials. AU - Allen AEA AU - Li R AU - Matin S AU - Zhang X AU - Nebgen B AU - Lubbers N AU - Smith JS AU - Messerly R AU - Tretiak S AU - Chan GK AU - Barros K PY - 2026 JO - Journal of chemical theory and computation DO - 10.1021/acs.jctc.6c00247 UR - https://doi.org/10.1021/acs.jctc.6c00247 ER -
APA
AEA, A., R, L., S, M., X, Z., B, N., N, L., JS, S., R, M., S, T., GK, C., & K, B. (2026). Reactive Chemistry at the Unrestricted Coupled Cluster Level: High-Throughput Calculations for Training Machine Learning Potentials.. Journal of chemical theory and computation. https://doi.org/10.1021/acs.jctc.6c00247
Source records
- pubmed · retrieved 2026-09-26T17:09:08.600Z