USP - Universidade de São Paulo
Universidade de São Paulo

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