电邮这篇文章 Density functional theory study of UO22+ solvation in 1-butyl-3-methylimidazolium chloride
- 作者: Buz’ko V.Y.1,2, Chuiko G.Y.2, Kushkhov K.B.3
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隶属关系:
- Laboratory of Molecular Modeling of Chemical Processes and Compounds
- Kuban State University
- Berbekov Kabardino-Balkarian State University
- 期: 卷 61, 编号 3 (2016)
- 页面: 321-326
- 栏目: Theoretical Inorganic Chemistry
- URL: https://journals.rcsi.science/0036-0236/article/view/167195
- DOI: https://doi.org/10.1134/S0036023616030062
- ID: 167195
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详细
Structural characteristics and energies of [UO2Cl4(BMIm)n](n–2)+ (n = 1-4) solvation complexes have been studied by the density functional theory (DFT) method in the SVWN5 local functional approximation.
作者简介
V. Buz’ko
Laboratory of Molecular Modeling of Chemical Processes and Compounds; Kuban State University
编辑信件的主要联系方式.
Email: BuzkoNMR@mail.ru
俄罗斯联邦, ul. Mira 71, Krasnodar, 350033; ul. Stavropol’skaya 149, Krasnodar, 350040
G. Chuiko
Kuban State University
Email: BuzkoNMR@mail.ru
俄罗斯联邦, ul. Stavropol’skaya 149, Krasnodar, 350040
Kh. Kushkhov
Berbekov Kabardino-Balkarian State University
Email: BuzkoNMR@mail.ru
俄罗斯联邦, ul. Chernyshevskogo 173, Nal’chik, 360004
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