Search Results - "Vilela Oliveira, Daniel"
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BSSE‐correction scheme for consistent gaussian basis sets of double‐ and triple‐zeta valence with polarization quality for solid‐state calculations
Published in Journal of computational chemistry (15-10-2019)“…Revised versions of our published pob‐TZVP [Peintinger, M. F.; Oliveira, D. V. and Bredow, T., J. Comput. Chem., 2013, 34 (6), 451–459.] and unpublished…”
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Consistent gaussian basis sets of double‐ and triple‐zeta valence with polarization quality of the fifth period for solid‐state calculations
Published in Journal of computational chemistry (15-07-2018)“…Consistent basis sets of double‐ and triple‐zeta valence with polarization quality for the fifth period have been derived for periodic quantum‐chemical…”
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Journal Article -
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Consistent Gaussian basis sets of triple-zeta valence with polarization quality for solid-state calculations
Published in Journal of computational chemistry (05-03-2013)“…Consistent basis sets of triple‐zeta valence with polarization quality for main group elements and transition metals from row one to three have been derived…”
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Journal Article