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Reactive Chemistry at Unrestricted Coupled Cluster Level: High-throughput Calculations for Training Machine Learning Potentials

Fuente: arXiv

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Bibliographic Details
Main Authors:	Allen, Alice E. A., Li, Rui, Matin, Sakib, Zhang, Xing, Nebgen, Benjamin, Lubbers, Nicholas, Smith, Justin S., Messerly, Richard, Tretiak, Sergei, Chan, Garnet Kin-Lic, Barros, Kipton
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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