Information theory, atoms in molecules, and molecular similarity
Using information theory, it is argued that from among possible definitions of what an atom is when it is in a molecule, a particular one merits special attention. Namely, it is the atom defined by the “stockholders partitioning” of a molecule invented by Hirshfeld [(1977) Theor. Chim. Acta 44, 129]...
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| Publicado no: | Proc Natl Acad Sci U S A |
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| Principais autores: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
National Academy of Sciences
2000
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.govhttps://pmc.ncbi.nlm.nih.gov/articles/PMC16789/ https://ncbi.nlm.nih.govhttps://pubmed.ncbi.nlm.nih.gov/10922049/ https://ncbi.nlm.nih.govhttps://doi.org/10.1073/pnas.97.16.8879 |
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