abstract
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A number of strong linear correlations between information-theoretic quantities and electron populations for atoms, molecules, and atoms-in-molecules have been disclosed.
Scaling properties of information-theoretic quantities in density functional reactivity theory
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authors
publication date
- February 21, 2015
has subject area
- 02 Physical Sciences (FoR)
- 03 Chemical Sciences (FoR)
- 09 Engineering (FoR)
- Chemical Physics (Science Metrix)
- Electrons (MeSH)
- Entropy (MeSH)
- Hydrocarbons (MeSH)
- Quantum Theory (MeSH)