Introducing DDEC6 atomic population analysis: part 1. Charge partitioning theory and methodology
New Mexico State University · Lasen (United States)
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Abstract
We introduce a new atomic population analysis method that performs exceptionally well across an extremely broad range of periodic and non-periodic material types.
Citation impact
936
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- FWCI
- 29.52
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- References
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Authors
2Topics & keywords
Topics
Keywords
- Charge (physics)
- Population
- Materials science
- Computational chemistry
- Chemistry
- Atomic physics
- Computer science
- Physics
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