Density functional theory investigation of the geometric and electronic structures of [UO2(H2O)m(OH)n] 2-n (n + m = 5)

被引：61

作者：

Department of Chemistry, University College London, Christopher Ingold Laboratories, 20 Gordon Street, London, WC1H 0AJ, United Kingdom ^{[1
]}

机构：

来源：

Dalton Trans. | 2006年 / 20卷 / 2403-2414期

关键词：

57;

D O I：

10.1039/b517281k

中图分类号：

学科分类号：

摘要：

引用

共 50 条

[1] Density functional theory investigation of the geometric and electronic structures of [UO2(H2O)m(OH)n]2-n (n+m=5)
Ingram, Kieran I. M.
Haeller, L. Jonas L.
Kaltsoyannis, Nikolas
DALTON TRANSACTIONS, 2006, (20) : 2403 - 2414
[2] Theoretical studies of UO2(OH)(H2O)n+, UO2(OH)2(H2O)n, NpO2(OH)(H2O)n, and PuO2(OH)(H2O)n+ (n≤21) complexes in aqueous solution
Cao, Zhiji
Balasubramanian, K.
JOURNAL OF CHEMICAL PHYSICS, 2009, 131 (16):
[3] Theory Study of the Structures and IR of (C5H5N)n (H2O)m (n=1∼2, m=1∼4) Clusters
Li Xiao-ming
Zhang Lai-bin
Zhou Liu-zhu
Kong Xiang-he
SPECTROSCOPY AND SPECTRAL ANALYSIS, 2014, 34 (07) : 1805 - 1810
[4] 含铀废水中[UO2（OH）m（H2O）_n]2-m形态的模拟计算
曾秀琳
田孟克
唐双凌
居学海
核化学与放射化学, 2024, 46 (06) : 594 - 604
[5] Theoretical Study of [Ni (H2O)n]2+(H2O)m (n ≤ 6, m ≤ 18)
Bustamante, Marcia
Valencia, Israel
Castro, Miguel
JOURNAL OF PHYSICAL CHEMISTRY A, 2011, 115 (17): : 4115 - 4134
[6] Preparation and crystal structures of M[(UO2)(SeO 4)2(H2O)](H2O)4 (M=Mg, Zn)
Krivovichev, S.V. (skrivovi@mail.ru), 2005, Verlag der Zeitschrift fur Naturforschung (60):
[7] The role of water in the structures of synthetic hallimondite, Pb2[(UO2)(AsO4)2](H2O)n and synthetic parsonsite, Pb2[(UO2)(PO4)2](H2O)n, 0≤n≤0.5
Locock, AJ
Burns, PC
Flynn, TM
AMERICAN MINERALOGIST, 2005, 90 (01) : 240 - 246
[8] Density Functional Theory Study of the Ionic Liquid [emim]OH and Complexes [emim]OH(H2O)n (n=1,2)
Zhixiang Song
Haijun Wang
Lijuan Xing
Journal of Solution Chemistry, 2009, 38 : 1139 - 1154
[9] Density Functional Theory Study of the Ionic Liquid [emim]OH and Complexes [emim]OH(H2O) n (n=1,2)
Song, Zhixiang
Wang, Haijun
Xing, Lijuan
JOURNAL OF SOLUTION CHEMISTRY, 2009, 38 (09) : 1139 - 1154
[10] Preparation and crystal structures of M[(UO2)(SeO4)2(H2O)]H2O)4 (M = Mg, Zn)
Krivovichev, SV
Kahlenberg, V
ZEITSCHRIFT FUR NATURFORSCHUNG SECTION B-A JOURNAL OF CHEMICAL SCIENCES, 2005, 60 (05): : 538 - 542

← 1 2 3 4 5 →