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Accurate and Efficient ab Initio Calculations for Supramole..:

Carter-Fenk, Kevin ; Lao, Ka Un ; Liu, Kuan-Yu.
The Journal of Physical Chemistry Letters.  10 (2019)  11 - p. 2706-2714 , 2019
Link: https://doi.org/10.1021/acs.jpclett.9b01156