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Updated: May 13, 2026

Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin
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Workflow and Tools for Crystallographic Fragment Screening at the Helmholtz-Zentrum Berlin

Published on: March 3, 2021

Solid state adaptive natural density partitioning: a tool for deciphering multi-center bonding in periodic systems.

Timur R Galeev1, Benjamin D Dunnington, J R Schmidt

  • 1Department of Chemistry and Biochemistry, Utah State University, Logan, Utah 84322, USA.

Physical Chemistry Chemical Physics : PCCP
|February 28, 2013
PubMed
Summary

A new Solid State Adaptive Natural Density Partitioning (SSAdNDP) tool analyzes chemical bonding in solids and interfaces. This method reveals localized and delocalized bonding, enhancing our understanding of complex material structures.

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