Gusmão EF - Search Results

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Relativistic Prolapse-Free Gaussian Basis Sets of Double- and Triple-ζ Quality for s- and p-Block Elements: (aug-)RPF-2Z and (aug-)RPF-3Z.

Sousa JDS, Gusmão EF, Dias AKNDR, Haiduke RLA. Sousa JDS, et al. Among authors: gusmao ef. J Chem Theory Comput. 2024 Nov 14. doi: 10.1021/acs.jctc.4c01211. Online ahead of print. J Chem Theory Comput. 2024. PMID: 39540930

Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for cesium through radon.

Gusmão EF, Haiduke RLA. Gusmão EF, et al. J Comput Chem. 2023 Dec 15;44(32):2478-2485. doi: 10.1002/jcc.27212. Epub 2023 Aug 23. J Comput Chem. 2023. PMID: 37610122

Relativistic adapted Gaussian basis sets free of variational prolapse of small and medium size for hydrogen through xenon.

Gusmão EF, Haiduke RLA. Gusmão EF, et al. J Comput Chem. 2022 Oct 30;43(28):1901-1910. doi: 10.1002/jcc.26990. Epub 2022 Sep 3. J Comput Chem. 2022. PMID: 36056621

Accurate nuclear quadrupole moment of ruthenium from the molecular method.

Gusmão EF, Santiago RT, Haiduke RLA. Gusmão EF, et al. J Chem Phys. 2019 Nov 21;151(19):194306. doi: 10.1063/1.5128655. J Chem Phys. 2019. PMID: 31757158

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