يعرض 81 - 100 نتائج من 48,054 نتيجة بحث عن '(( a large increases ) OR ((( ((c large) OR (i large)) decrease ) OR ( a larger decrease ))))*', وقت الاستعلام: 1.98s تنقيح النتائج
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    The Effective Fragment Molecular Orbital Method: Achieving High Scalability and Accuracy for Large Systems حسب Tosaporn Sattasathuchana (3377324)

    منشور في 2024
    "…It is demonstrated that excellent accuracy (<1 kcal/mol error per fragment) can be achieved when using a sufficiently large basis set with diffuse functions coupled with a small <i>R</i><sub>cut</sub> value. …"
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