Voronoi deformation density (VDD) charges: Assessment of the Mulliken, Bader, Hirshfeld, Weinhold, and VDD methods for charge analysis
By C. F. Guerra, J. Handgraaf, E. Baerends, F. Bickelhaupt. Journal of Computational Chemistry, 2004
989 citations recorded by the source corpus.
Subfields: Atomic and Molecular Physics, and Optics, Physical and Theoretical Chemistry, Spectroscopy
View Paper: https://www.semanticscholar.org/paper/859a49189edb00493a47be34ed39558002c44a66
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In Atomic and Molecular Physics, and Optics
In Physical and Theoretical Chemistry
In Spectroscopy
Citations in the corpus
- Chemical bonding in crystals: new directions (2005, background): “Of late, a paper promoting the Voronoi deformation density atomic charges has claimed that QTAIMAC charges in CO are too large since they “would falsely suggest an ionic bond in CO” [127].”