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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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