DFT Study of the Structure and Stability of Pu(III) and Pu(IV) Chloro Complexes

被引：12
|
作者：
Buz'ko, V. Yu. [1 ]
Chuiko, G. Yu. [2 ]
Kushkhov, Kh. B. [3 ]
机构：
[1] Lab Mol Modeling Chem Proc & Cpds, Krasnodar 350033, Russia
[2] Kuban State Univ, Krasnodar 350040, Russia
[3] Berbekov Kabardino Balkarian State Univ, Nalchik 360004, Russia
来源：
RUSSIAN JOURNAL OF INORGANIC CHEMISTRY | 2012年 / 57卷 / 01期
关键词：
MOLTEN-SALT; ELECTROCHEMICAL-BEHAVIOR; LANTHANIDE ELEMENTS; RARE-EARTHS; AB-INITIO; ACTINIDE; PLUTONIUM; KCL; PU; NP;
D O I：
10.1134/S0036023612010056
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The structural characteristics and energies of PuCln(3-n)+ and PuCln(4-n)+ complexes (n = 2-8) have been studied by the density functional theory (DFT) method in the SVWN5 local functional approximation.
引用
收藏
页码：62 / 67
页数：6
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