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Relativistic Prolapse-Free Gaussian Basis Sets of Double- and Triple-ζ Quality for d-Block Elements: (aug-)RPF-2Z and

Julielson Dos Santos Sousa1, Anne Kéllen de Nazaré Dos Reis Dias1, Eriosvaldo Florentino Gusmão1

  • 1Department of Chemistry and Molecular Physics, São Carlos Institute of Chemistry, University of São Paulo, São Carlos, São Paulo 13566-590, Brazil.

Journal of Chemical Theory and Computation
|August 6, 2025
PubMed

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