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Addressing Surface Effects at the Particle-Continuum Interf..:

Jain, Yash ; Ries, Maximilian ; Pfaller, Sebastian.
Journal of Chemical Theory and Computation.  18 (2022)  4 - p. 2375-2387 , 2022
Link: https://doi.org/10.1021/acs.jctc.1c00940