Showing 41 - 60 results of 42,138 for search '(( significant based basis ) OR ( significant ((we decrease) OR (step decrease)) ))', query time: 0.47s Refine Results
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    Basis Set Extrapolation of Vibrational Frequencies by Frank Jensen (1287894)

    Published 2023
    “…For regular molecules, the three extrapolation procedures yield essentially identical results, but for loosely bound complexes, the frequencies derived from extrapolated Hessians yield unpredictable behavior. None of the basis set extrapolations, however, provide any significant improvement over the results upon which the extrapolation is based.…”
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    Data processing and analysis steps. by Alexandra V. Kulinkina (5335058)

    Published 2023
    “…We used partial dependence and individual conditional expectation plots to improve interpretability of results.…”
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    Data Sheet 1_Bio-functional hydrogel coated membranes to decrease T-cell exhaustion in manufacturing of CAR T-cells.docx by Aida López Ruiz (21611177)

    Published 2025
    “…To address this need, in this work, we utilized a bioinspired, scalable, tunable platform to direct T-cell activation and decrease exhaustion during CAR T production.…”
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    Density-Based Basis-Set Incompleteness Correction for <i>GW</i> Methods by Pierre-François Loos (2370100)

    Published 2020
    “…Here, we propose a computationally efficient density-based basis-set correction based on short-range correlation density functionals which significantly speeds up the convergence of energetics toward the complete basis set limit. …”
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    Density-Based Basis-Set Incompleteness Correction for <i>GW</i> Methods by Pierre-François Loos (2370100)

    Published 2020
    “…Here, we propose a computationally efficient density-based basis-set correction based on short-range correlation density functionals which significantly speeds up the convergence of energetics toward the complete basis set limit. …”
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