New Approach for Correcting Noncovalent Interactions in Semiempirical Quantum Mechanical Methods: The Importance of Multiple-Orientation Sampling.

J Chem Theory Comput · 2021 · PMC8486165 · PMID 34424696

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may be significantno p-value reported

However, and as it will be shown later in the present work, the errors in the description of noncovalent interactions may be significant, depending on the relative orientation of the interacting molecules.

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