Journal of Chemical Theory and Computation

Sousa, Julielson dos Santos. Dias, Anne Kéllen de Nazaré dos Reis. Gusmão, Eriosvaldo Florentino. Haiduke, Roberto Luiz Andrade. Relativistic prolapse-free Gaussian basis sets of double-and triple-ζ quality for d-block elements : (aug-)RPF-2Z and (aug-)RPF-3Z. Washington, DC, 2025. In press. Journal of Chemical Theory and Computation, Washington, DC : American Chemical Society, In press, 2025.
Disponível em: https://doi.org/10.1021/acs.jctc.5c00669
ReP USP: https://repositorio.usp.br/item/003261982