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Browsing Chemistry & Biochemistry by Author "Konrad Patkowski, patkowsk@auburn.edu"
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Platinum, gold, and silver standards of intermolecular interaction energy calculations
Kodrycka, Monika; Patkowski, Konrad; https://orcid.org/0000-0002-4468-207X (2020-03-10)
High-accuracy noncovalent interaction energies are indispensable as data points for potential energy surfaces and as benchmark values for improving and testing more approximate approaches. The preferred algorithm (the gold ...