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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Dynamics of Humic Acid and Its Interaction with Uranyl in the Presence of Hydrophobic Surface Implicated by Molecular

Tu Lan1,2, Hui Wang2, Jiali Liao1

  • 1Key Laboratory of Radiation Physics and Technology (Sichuan University), Ministry of Education; Institute of Nuclear Science and Technology, Sichuan University , Chengdu 610064, P.R.China.

Environmental Science & Technology
|September 27, 2016
PubMed

Keywords:
humic acid dynamicsuranyl bindingcarbon nanotube interactionsmolecular dynamics simulations

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