يعرض 161 - 180 نتائج من 11,900 نتيجة بحث عن '(( significant based basis ) OR ( significant ((greatest decrease) OR (greater decrease)) ))', وقت الاستعلام: 1.38s تنقيح النتائج
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    Quantifying Intramolecular Basis Set Superposition Errors حسب Quentin Pitteloud (16851723)

    منشور في 2023
    "…We show that medium-sized Gaussian basis sets lead to significant intramolecular basis set superposition errors at Hartree–Fock and density functional levels of theory, with artificial stabilization of compact over extended conformations for a 186 atom deca-peptide. …"
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    Research dataset of the study. حسب Faranak Mahmoudi Alami (18309967)

    منشور في 2024
    الموضوعات:
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