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Graph–Theoretic Analysis of Monomethyl Phosphate Clustering in Ionic Solutions
All–atom molecular dynamics simulations combined with graph–theoretic analysis reveal that clustering of the monomethyl phosphate dianion (MMP(2–)) is strongly influenced by the types and combinations of cations in the aqueous solution. While Ca(2+) promotes formation of stable and large MMP(2–) clu...
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| Publicado no: | J Phys Chem B |
|---|---|
| Main Authors: | , , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2018
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6322214/ https://ncbi.nlm.nih.gov/pubmed/29293344 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jpcb.7b10730 |
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