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...

Deskribapen osoa

Gorde:
Xehetasun bibliografikoak
Argitaratua izan da:J Phys Chem B
Egile Nagusiak: Han, Kyungreem, Venable, Richard M., Bryant, Anne–Marie, Legacy, Christopher J., Shen, Rong, Li, Hui, Roux, Benoît, Gericke, Arne, Pastor, Richard W.
Formatua: Artigo
Hizkuntza:Inglês
Argitaratua: 2018
Gaiak:
Article
Sarrera elektronikoa: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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