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Enumerating and indexing many-body intramolecular interactions: a graph theoretic approach
The central idea observes a recursive mapping of [Formula: see text] -body intramolecular interactions to [Formula: see text] -body terms that is consistent with the molecular topology. Iterative application of the line graph transformation is identified as a natural and elegant tool to accomplish t...
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| Publicado no: | J Math Chem |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4544505/ https://ncbi.nlm.nih.gov/pubmed/26316670 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10910-015-0510-x |
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