DFT meets the segmented polarizations consistent basis...

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Journal of Molecular Structure 2020 / 2

DFT meets the segmented polarizations consistent basis sets: Performances in the computation of molecular structures, rotational and vibrational spectroscopic properties

Boussessi, Rahma, Ceselin, Giorgia, Tasinato, Nicola, Barone, Vincenzo
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Journal:
Journal of Molecular Structure
DOI:
10.1016/j.molstruc.2020.127886
Date:
February, 2020
File:
PDF, 3.75 MB
2020
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