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Variational Hirshfeld Partitioning: General Framework and the Additive Variational Hirshfeld Partitioning Method

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F. Heidar-Zadeh, C. Castillo-Orellana, M. Van Zyl, L. Pujal, T. Verstraelen, P. Bultinck, E. Vohringer-Martinez, P. W. Ayers
Journal of Chemical Theory and Computation
20(22), pp.9939--9953
2024
A1

DOI 

https://doi.org/10.1021/acs.jctc.4c01077

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