Ab initio Molecular Dynamics Simulations of Lanthanide Coordination Structures in Water and in Faujasite

被引：0

作者：

Shiery, Richard C. ^{[1
]}

机构：

[1] University of Nevada, Reno

来源：

ProQuest Dissertations and Theses Global | 2022年

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摘要：

Binding sites - Density functional theory - Distribution functions - Electronic structure - Free energy - Hydrophilicity - Ion exchange - Lanthanum - Metal ions - Positive ions - Reaction kinetics

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