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"How to Compute Atomistic Insight in DFT Clusters: The REG-IQA Approach."

Fabio Falcioni, Paul L. A. Popelier (2023)

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DOI: 10.1021/ACS.JCIM.3C00404

access: open

type: Journal Article

metadata version: 2023-09-12

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  dblp key:
  - journals/jcisd/FalcioniP23
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  - https://dblp.org/rec/journals/jcisd/FalcioniP23
Fabio Falcioni, Paul L. A. Popelier:
How to Compute Atomistic Insight in DFT Clusters: The REG-IQA Approach. J. Chem. Inf. Model. 63(14): 4312-4327 (2023)

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