Pitfalls in the Optimization of Conformer Populations to Maximize the Similarity between Predicted and Experimental Chiroptical Spectra.
| Autor: | Covington, Cody L., Puente, Andrew R., Polavarapu, Prasad L. |
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| Zdroj: | Journal of Physical Chemistry A; 1/11/2024, Vol. 128 Issue 1, p129-138, 10p |
| Databáze: | Supplemental Index |
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