Theoretical study on complexation of U(vi) with ODA, IDA and TDA based on density functional theory

Solvothermal synthesis of uranium(VI) phases with aromatic carboxylate ligands: A dinuclear complex with 4-hydroxybenzoic acid and a 3D framework with terephthalic acid

(2016) Yingjie Zhang et al.   JOURNAL OF SOLID STATE CHEMISTRY

Europium, uranyl, and thorium-phenanthroline amide complexes in acetonitrile solution: an ESI-MS and DFT combined investigation

(2015) Cheng-Liang Xiao et al.   DALTON TRANSACTIONS

Investigation of Properties of Mgn Clusters and Their Hydrogen Storage Mechanism: A Study Based on DFT and a Global Minimum Optimization Method

(2015) Dong Shen et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Optimum complexation of uranyl with amidoxime in aqueous solution under different pH levels: density functional theory calculations

(2015) Xiaojing Guo et al.   MOLECULAR PHYSICS

Uranium(VI) Chemistry in Strong Alkaline Solution: Speciation and Oxygen Exchange Mechanism

(2014) Henry Moll et al.   INORGANIC CHEMISTRY

Theoretical Investigation on Multiple Bonds in Terminal Actinide Nitride Complexes

(2014) Qun-Yan Wu et al.   INORGANIC CHEMISTRY

Theoretical Insights on the Interaction of Uranium with Amidoxime and Carboxyl Groups

(2014) Cong-Zhi Wang et al.   INORGANIC CHEMISTRY

Actinide–Silicon Multiradical Bonding: Infrared Spectra and Electronic Structures of the Si(μ-X)AnF3 (An = Th, U; X = H, F) Molecules

(2014) Han-Shi Hu et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

A computational study on the complexation of Np(v) with N,N,N′,N′-tetramethyl-3-oxa-glutaramide (TMOGA) and its carboxylate analogs

(2014) Jinghui Zeng et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

The molecular configuration of a DOPA/ST monolayer at the air–water interface: a molecular dynamics study

(2014) Chui-Peng Kong et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Investigation of the reactions of U, U+and U2+with ammonia: mechanisms and topological analysis

(2014) Peng Li et al.   RSC Advances

Removal of uranium (VI) ion from aqueous solution by SBA-15

(2013) Xinghui Wang et al.   ANNALS OF NUCLEAR ENERGY

A calorimetric study of the hydrolysis and peroxide complex formation of the uranyl(vi) ion

(2013) Pier Luigi Zanonato et al.   DALTON TRANSACTIONS

Removal of uranium(vi) from aqueous solution using iminodiacetic acid derivative functionalized SBA-15 as adsorbents

(2013) Yu-Long Wang et al.   DALTON TRANSACTIONS

Determination and comparison of the thermodynamic quantities of U(VI) complexation with “aliphatic” and “aromatic” di-carboxylic acids by calorimetry

(2013) Akira Kirishima et al.   JOURNAL OF CHEMICAL THERMODYNAMICS

Theoretical studies on the complexation of uranyl with typical carboxylate and amidoximate ligands

(2013) ChaoFei Xu et al.   Science China-Chemistry

Emission spectroscopy of uranium(iv) compounds: a combined synthetic, spectroscopic and computational study

(2013) Emtithal Hashem et al.   RSC Advances

Aqueous Uranium(VI) Complexes with Acetic and Succinic Acid: Speciation and Structure Revisited

(2012) Christian Lucks et al.   INORGANIC CHEMISTRY

Effect of chelate ring and rigidity on Se⋯N interactions: a computational study

(2012) Raghu Nath Behera et al.   RSC Advances

On the “yl” bond weakening in uranyl(VI) coordination complexes

(2011) Satoru Tsushima   DALTON TRANSACTIONS

Multiwfn: A multifunctional wavefunction analyzer

(2011) Tian Lu et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Quest for Environmentally Benign Ligands for Actinide Separations: Thermodynamic, Spectroscopic, and Structural Characterization of UVIComplexes with Oxa-Diamide and Related Ligands

(2009) Guoxin Tian et al.   CHEMISTRY-A EUROPEAN JOURNAL

Complexation of Uranium(VI) by Gluconate in Acidic Solutions: a Thermodynamic Study with Structural Analysis

(2009) Zhicheng Zhang et al.   INORGANIC CHEMISTRY

Performance of SM6, SM8, and SMD on the SAMPL1 Test Set for the Prediction of Small-Molecule Solvation Free Energies

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B