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

[41] Study on the Geometric and Electronic Structures of Al n Si m (n=3, 4, 5; m=1, 2, 3, 4) Clusters
Su, Mingzhi
Du, Ning
Chen, Hongshan
JOURNAL OF CLUSTER SCIENCE, 2018, 29 (01) : 141 - 150
[42] HYDRATION OF ALKALI IONS IN GAS PHASE - ENTHALPIES AND ENTROPIES OF REACTIONS M+(H2O)N-1+H2O = M+(H2O)N
DZIDIC, I
KEBARLE, P
JOURNAL OF PHYSICAL CHEMISTRY, 1970, 74 (07): : 1466 - &
[43] Density functional study on hydrated clusters of orthoboric acid, B(OH)3(H2O)n (n=1-5)
Tachikawa, M
JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2004, 710 (1-3): : 139 - 150
[44] Geometrical isomerism in uranyl chromates I.: Crystal structures of (UO2)(CrO4)(H2O)2, [(UO2)(CrO4)(H2O)2](H2O) and [(UO2)(CrO4)(H2O)2]4(H2O)9
Krivovichev, SV
Burns, PC
ZEITSCHRIFT FUR KRISTALLOGRAPHIE, 2003, 218 (08): : 568 - 574
[45] Photoelectron spectroscopy and density functional theory studies of (fructose + (H2O)n)- (n=1-5) anionic clusterst
Zeng, Zhen
Bernstein, Elliot R.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2017, 19 (46) : 31121 - 31137
[46] Combinatorial topology of uranyl molybdate sheets:: syntheses and crystal structures of (C6H14N2)3[(UO2)5(MoO4)8](H2O)4 and (C2H10N2)[(UO2)(MoO4)2]
Krivovichev, SV
Burns, PC
JOURNAL OF SOLID STATE CHEMISTRY, 2003, 170 (01) : 106 - 117
[47] STRUCTURES AND ENERGETICS OF SOLVATED IONS - AB-INITIO CALCULATIONS ON H3O+(H2O)N AND OH-(H2O)N,N=O,4
NEWTON, MD
EHRENSON, S
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1971, (MAR-A): : 86 - &
[48] X-Ray diffraction and IR-spectroscopic studies of UO2(n-C3H7COO)2(H2O)2 and Mg(H2O)6[UO2(n-C3H7COO)3]2
Savchenkov, A. V.
Vologzhanina, A. V.
Serezhkin, V. N.
Pushkin, D. V.
Serezhkina, L. B.
CRYSTALLOGRAPHY REPORTS, 2014, 59 (02) : 190 - 195
[49] X-Ray diffraction and IR-spectroscopic studies of UO2(n-C3H7COO)2(H2O)2 and Mg(H2O)6[UO2(n-C3H7COO)3]2
A. V. Savchenkov
A. V. Vologzhanina
V. N. Serezhkin
D. V. Pushkin
L. B. Serezhkina
Crystallography Reports, 2014, 59 : 190 - 195
[50] STRUCTURAL RIGIDITY OF 1ST HYDRATION SPHERES OF NA+ AND CA2+ IN CLUSTER-MODELS - FULL GEOMETRY OPTIMIZATIONS OF [M(H2O)6]N+, [M(H2O)6...H2O]N+ AND [M(H2O)6...CL](N-1)+ (M = NA AND CA, N = 1 FOR NA AND 2 FOR CA) BY DENSITY-FUNCTIONAL CALCULATIONS
WAIZUMI, K
MASUDA, H
FUKUSHIMA, N
INORGANICA CHIMICA ACTA, 1993, 209 (02) : 207 - 211

← 1 2 3 4 5 →