ArticleJournal of applied crystallography2026
Application of electrostatic and multi-layer embedding in Hirshfeld atom refinements: a cost-effective approach for approximating bulk effects in crystalline environments.
Article in Journal of applied crystallography, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.
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Abstract
One of the main advantages of Hirshfeld atom refinement (HAR), besides improved refinement statistics and reduced uncertainties of all derived parameters, is the possibility of refining anisotropic hydrogen atoms without any type of restriction to a correct distance. Notwithstanding this, there are still some problems that need attention for an accurate refinement of H atoms. For instance,
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