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Analysis of hydrogen-bond interaction potentials from the electron density: Integration of NCI regions
Hydrogen bonds are of crucial relevance to many problems in chemistry biology and materials science. The recently-developed NCI (Non-Covalent Interactions) index enables real-space visualization of both attractive (van der Waals and hydrogen-bonding) and repulsive (steric) interactions based on prop...
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| Main Authors: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2011
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3651877/ https://ncbi.nlm.nih.gov/pubmed/21786796 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/jp204278k |
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