Molecular dynamics simulations of Y(iii) coordination and hydration properties-Reference-Cited by-同舟云学术

Molecular dynamics simulations of Y(iii) coordination and hydration properties

Published:2019 Issue:55 Volume:9 Page:32085-32096
ISSN:2046-2069
Container-title:RSC Advances
language:en
Short-container-title:RSC Adv.

Author:

Zhang Xiaolin¹²³⁴^ORCID,Niu Fei¹²³⁴,Liu Donghui¹²³⁴,Yang Shimin¹²³⁴,Yang Youming¹²³⁴⁵,Tong Zhifang¹²³⁴

Affiliation:

1. School of Metallurgy and Chemical Engineering

2. Jiangxi University of Science and Technology

3. Ganzhou 341000

4. China

5. National Engineering Research Center for Ionic Rare Earth

Abstract

Based on MD results, DFT was used to geometrically optimize and calculate the UV spectrum of Y(iii) complex ions. Data validation was further performed using UV-vis experiments to reveal Y(iii) coordination and hydration properties.

Funder

National Natural Science Foundation of China

Jiangxi University of Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemical Engineering,General Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2019/RA/C9RA05320D

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