Search Results - "Teodoro, Tiago Quevedo"

Nonnuclear Attractors in Heteronuclear Diatomic Systems by Terrabuio, Luiz Alberto, Teodoro, Tiago Quevedo, Matta, Chérif F, Haiduke, Roberto Luiz Andrade

“…Nonnuclear attractors (NNAs) are observed in the electron density of a variety of systems, but the factors governing their appearance and their contribution to…”
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Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple-[zeta] Quality: (aug-)RPF-4Z. III. The f-Block Elements by Teodoro, Tiago Quevedo, Visscher, Lucas, da Silva, Alberico Borges Ferreira, Haiduke, Roberto Luiz Andrade

“…The f-block elements are addressed in this third part of a series of prolapse-free basis sets of quadruple-[zeta] quality (RPF-4Z). Relativistic adapted…”
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Relativistic Prolapse-Free Gaussian Basis Sets of Quadruple‑ζ Quality: (aug-)RPF-4Z. III. The f‑Block Elements by Teodoro, Tiago Quevedo, Visscher, Lucas, da Silva, Albérico Borges Ferreira, Haiduke, Roberto Luiz Andrade

“…The f-block elements are addressed in this third part of a series of prolapse-free basis sets of quadruple-ζ quality (RPF-4Z). Relativistic adapted Gaussian…”
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Accurate relativistic adapted gaussian basis sets for francium through ununoctium without variational prolapse and to be used with both uniform sphere and gaussian nucleus models by Teodoro, Tiago Quevedo, Haiduke, Roberto Luiz Andrade

“…Accurate relativistic adapted Gaussian basis sets (RAGBSs) for 87Fr up to 118Uuo atoms without variational prolapse were developed here with the use of a…”
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Relativistic Prolapse-Free Gaussian Basis Set of Quadruple‑ζ Quality: (aug-)RPF-4Z. I. The s- and p‑Block Elements by Teodoro, Tiago Quevedo, da Silva, Albérico Borges Ferreira, Haiduke, Roberto Luiz Andrade

“…This study reports a new relativistic prolapse-free Gaussian basis set series of quadruple-ζ quality, RPF-4Z, and an augmented version that includes extra…”
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Relativistic Prolapse-Free Gaussian Basis Set of Quadruple‑ζ Quality: (aug-)RPF-4Z. II. The d‑Block Elements by Teodoro, Tiago Quevedo, Ferreira da Silva, Albérico Borges, Haiduke, Roberto Luiz Andrade

“…A series of relativistic prolapse-free Gaussian basis sets of quadruple-ζ quality has been developed: (aug-)RPF-4Z. Here, we report the (aug-)RPF-4Z sets for…”
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Atomic charge and atomic dipole fluxes during stretching displacements in small molecules by Teodoro, Tiago Quevedo, Haiduke, Roberto Luiz Andrade

“…[Display omitted] ► Charge and atomic dipole fluxes obtained for 18 simple molecules were analyzed. ► Convergence studies with basis set and calculation…”
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Nuclear electric quadrupole moment of bismuth from the molecular method by Teodoro, Tiago Quevedo, Haiduke, Roberto Luiz Andrade

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Nuclear electric quadrupole moment of potassium from the molecular method by Teodoro, Tiago Quevedo, Haiduke, Roberto Luiz Andrade, Visscher, Lucas

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