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Quantifying Intramolecular Basis Set Superposition Errors.
J Chem Theory Comput. 2023 Sep 12;19(17):5863-5871. doi: 10.1021/acs.jctc.3c00693. Epub 2023 Aug 18.
J Chem Theory Comput. 2023.
PMID: 37595013
Scalar Relativistic Effects with Multiwavelets: Implementation and Benchmark.
Brakestad A, Jensen SR, Tantardini C, Pitteloud Q, Wind P, Užulis J, Gulans A, Hopmann KH, Frediani L.
Brakestad A, et al. Among authors: pitteloud q.
J Chem Theory Comput. 2024 Jan 23;20(2):728-737. doi: 10.1021/acs.jctc.3c01095. Epub 2024 Jan 5.
J Chem Theory Comput. 2024.
PMID: 38181377
Free PMC article.
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