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How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations?
Publication with shared reference
10.1039/d4ra07900k
Home
Publications
How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations?
Publication with shared reference
10.1039/d4ra07900k
Publications with shared reference:
How well do various QM-derived net atomic charges reproduce the electrostatic potential surrounding a material across multiple geometric conformations?
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