Improved grid‐based algorithm for Bader charge allocation
Abstract An improvement to the grid‐based algorithm of Henkelman et al. for the calculation of Bader volumes is suggested, which more accurately calculates atomic properties as ...
Publications
1 shownFrequent Co-Authors
Researcher Info
- h-index
- 1
- Publications
- 1
- Citations
- 3,973
- Institution
- Loughborough University
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Identifiers
- ORCID
- 0000-0003-3285-2403
Impact Metrics
h-index
1
h-index: Number of publications with at least h citations each.