How does ammonium dynamically interact with benzene in aqueous media? A first principle study using the Car-Parrinello molecular dynamics method
Article Abstract:
The Car-Parrinello molecular dynamics (CPMD) method is used to study the dynamic characteristics of the cation-pi interaction between ammonium and benzene in gaseous and aqueous media. This method has provided strong evidence that cation-pi interactions might take place even on the surface of proteins or nucleic acids in an aqueous environment.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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A reinterpretation of the hydration of micelles of dodecyltrimethylammonium bromide and chloride in aqueous solution
Article Abstract:
The reinterpretation of the hydration of dodecyltrimethylammonium (DTAB) micelles in aqueous solution is presented. The results show that a simple model of the hydration of micelles that is successful in anionic micelles is also successful in DTAB.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
User Contributions:
Comment about this article or add new information about this topic:
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