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Pitfalls in the Optimization of Conformer Populations to Maximize the Similarity between Predicted and Experimental

Cody L Covington1,2, Andrew R Puente2, Prasad L Polavarapu2

  • 1Department of Chemistry, Austin Peay State University, Clarksville, Tennessee 37044, United States.

The Journal of Physical Chemistry. A
|December 28, 2023
PubMed

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