HIGHLIGHTS
- who: Lizet Casillas et al. from the Department of Physics and Astronomy, California State University, Northridge, CA, USA have published the article: Identifying Systematic Force Field Errors Using a 3D-RISM Element Counting Correction, in the Journal: Molecules 2023, 28, 925. of /2023/
- what: The authors show that the vdW correction can be reproduced by counting the number of atoms of each element in the solute rather than calculating a volume. The authors provide details of the calculations. The authors focus on corrections applied after a 3D-RISM calculation has been carried out and the . . .
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