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Density functional theory investigations on the binding modes of amidoximes with uranyl ions

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inferredcites →https://doi.org/10.1002/1097-4628(20000829)77:9<1994::aid-app15>3.0.co;2-popenalex-snapshot
Adsorption behavior of metal ions by amidoxime chelating resin
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Seawater Uranium Sorbents: Preparation from a Mesoporous Copolymer Initiator by Atom‐Transfer Radical Polymerization
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Removal of concentrated heavy metal ions from aqueous solutions using polymers with enriched amidoxime groups
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Engineering Short Peptide Sequences for Uranyl Binding
inferredcites →https://doi.org/10.1002/chem.201405439openalex-snapshot
High Impact of Uranyl Ions on Carrying–Releasing Oxygen Capability of Hemoglobin‐Based Blood Substitutes
inferredcites →https://doi.org/10.1002/rcm.6672openalex-snapshot
Probing uranyl(VI) speciation in the presence of amidoxime ligands using electrospray ionization mass spectrometry
inferredcites →https://doi.org/10.1007/1-4020-3598-5openalex-snapshot
The Chemistry of the Actinide and Transactinide Elements
inferredcites →https://doi.org/10.1007/s10450-005-4816-zopenalex-snapshot
A Highly Efficient Chelating Polymer for the Adsorption of Uranyl and Vanadyl Ions at Low Concentrations
inferredcites →https://doi.org/10.1007/s10967-012-1911-yopenalex-snapshot
Characterization and properties of Pleurotus mutilus fungal biomass as adsorbent of the removal of uranium(VI) from uranium leachate
inferredcites →https://doi.org/10.1007/s10967-013-2900-5openalex-snapshot
Biosorption of uranium by immobilized cells of Rhodotorula glutinis
inferredcites →https://doi.org/10.1007/s11426-013-4995-5openalex-snapshot
Polymer-coated nanoporous carbons for trace seawater uranium adsorption
inferredcites →https://doi.org/10.1016/0009-2614(89)87234-3openalex-snapshot
Results obtained with the correlation energy density functionals of becke and Lee, Yang and Parr
inferredcites →https://doi.org/10.1016/j.apsusc.2014.08.182openalex-snapshot
Amidoxime-grafted multiwalled carbon nanotubes by plasma techniques for efficient removal of uranium(VI)
inferredcites →https://doi.org/10.1016/j.ccr.2013.10.004openalex-snapshot
Uranium minerals and their relevance to long term storage of nuclear fuels
inferredcites →https://doi.org/10.1016/j.cej.2010.01.046openalex-snapshot
Preparation and chelation adsorption property of composite chelating material poly(amidoxime)/SiO2 towards heavy metal ions
inferredcites →https://doi.org/10.1016/j.cej.2012.09.114openalex-snapshot
Synthesis of amidoximated polyacrylonitrile fibers and its application for sorption of aqueous uranyl ions under continuous flow
inferredcites →https://doi.org/10.1016/j.ica.2014.06.023openalex-snapshot
The synthesis and spectroscopic characterization of an aromatic uranium amidoxime complex
inferredcites →https://doi.org/10.1016/j.ijms.2011.06.002openalex-snapshot
The gas-phase bis-uranyl nitrate complex [(UO2)2(NO3)5]−: Infrared spectrum and structure
inferredcites →https://doi.org/10.1016/j.jhazmat.2011.03.066openalex-snapshot
Sorption of uranium(VI) using oxime-grafted ordered mesoporous carbon CMK-5
inferredcites →https://doi.org/10.1016/j.radphyschem.2004.08.003openalex-snapshot
Cloth filter for recovery of uranium from radioactive waste
inferredcites →https://doi.org/10.1016/j.radphyschem.2009.06.009openalex-snapshot
The effects of hazardous ions adsorption on the morphological and chemical properties of reactive cloth filter
inferredcites →https://doi.org/10.1016/j.reactfunctpolym.2003.07.005openalex-snapshot
The adsorption mechanism of uranium(VI) from seawater on a macroporous fibrous polymeric adsorbent containing amidoxime chelating functional group
inferredcites →https://doi.org/10.1016/j.reactfunctpolym.2004.06.005openalex-snapshot
Synthesis, characterization and amidoximation of a novel polymer: poly(N,N′-dipropionitrile acrylamide)
inferredcites →https://doi.org/10.1016/j.reactfunctpolym.2005.02.015openalex-snapshot
pH Effect on the uranium adsorption from seawater by a macroporous fibrous polymeric material containing amidoxime chelating functional group
inferredcites →https://doi.org/10.1016/s0009-2614(02)00443-8openalex-snapshot
A theoretical study on the structures of UO2(CO3)34−, Ca2UO2(CO3)30, and Ba2UO2(CO3)30
inferredcites →https://doi.org/10.1016/s0020-1693(00)84889-6openalex-snapshot
Uranyl complexes of acetamidoxime and benzamidoxime. Preparation, characterization, and crystal structure
inferredcites →https://doi.org/10.1016/s0039-9140(97)00128-8openalex-snapshot
The extraction of uranium by amidoximated orlon
inferredcites →https://doi.org/10.1016/s0969-806x(99)00348-5openalex-snapshot
Adsorption of UO2+2 by polyethylene adsorbents with amidoxime, carboxyl, and amidoxime/carboxyl group
inferredcites →https://doi.org/10.1021/ic101953qopenalex-snapshot
Hydrolysis of Uranyl(VI) in Acidic and Basic Aqueous Solutions Using a Noncomplexing Organic Base: A Multivariate Spectroscopic and Statistical Study
inferredcites →https://doi.org/10.1021/ic201679eopenalex-snapshot
“yl”-Oxygen Exchange in Uranyl(VI) Ion: A Mechanism Involving (UO2)2(μ-OH)22+ via U–Oyl–U Bridge Formation
inferredcites →https://doi.org/10.1021/ic300062sopenalex-snapshot
How Amidoximate Binds the Uranyl Cation
inferredcites →https://doi.org/10.1021/ic400560kopenalex-snapshot
Infrared Spectra of H2ThS and H2US in Noble Gas Matrixes: Enhanced H-An-S Covalent Bonding
inferredcites →https://doi.org/10.1021/ic401089uopenalex-snapshot
De Novo Structure-Based Design of Bis-amidoxime Uranophiles
inferredcites →https://doi.org/10.1021/ic402664nopenalex-snapshot
Uranium(VI) Chemistry in Strong Alkaline Solution: Speciation and Oxygen Exchange Mechanism
inferredcites →https://doi.org/10.1021/ic500202gopenalex-snapshot
Theoretical Insights on the Interaction of Uranium with Amidoxime and Carboxyl Groups
inferredcites →https://doi.org/10.1021/ie100326qopenalex-snapshot
Parametric Studies on Radiation Grafting of Polymeric Sorbents for Recovery of Heavy Metals from Seawater
inferredcites →https://doi.org/10.1021/ja0378097openalex-snapshot
First-Principle Predictions of Absolute pKa's of Organic Acids in Dimethyl Sulfoxide Solution
inferredcites →https://doi.org/10.1021/ja058106nopenalex-snapshot
Vibrational Spectroscopy of Mass-Selected [UO2(ligand)n]2+Complexes in the Gas Phase: Comparison with Theory
inferredcites →https://doi.org/10.1021/ja065683iopenalex-snapshot
Gas-Phase Chemistry of Actinides Ions: New Insights into the Reaction of UO+and UO2+with Water
inferredcites →https://doi.org/10.1021/ja2019492openalex-snapshot
Small Molecule Activation by Uranium Tris(aryloxides): Experimental and Computational Studies of Binding of N 2 , Coupling of CO, and Deoxygenation Insertion of CO 2 under Ambient Conditions
inferredcites →https://doi.org/10.1021/ja209424zopenalex-snapshot
Reactivity and Stability of Dinuclear Pd(I) Complexes: Studies on the Active Catalytic Species, Insights into Precatalyst Activation and Deactivation, and Application in Highly Selective Cross-Coupling Reactions
inferredcites →https://doi.org/10.1021/ja5087563openalex-snapshot
UO 2 2+ Uptake by Proteins: Understanding the Binding Features of the Super Uranyl Binding Protein and Design of a Protein with Higher Affinity
inferredcites →https://doi.org/10.1021/ja8026407openalex-snapshot
Ab Initio Study of the Mechanism for Photoinduced Yl-Oxygen Exchange in Uranyl(VI) in Acidic Aqueous Solution
inferredcites →https://doi.org/10.1021/jo802641ropenalex-snapshot
First-Principles Calculation of pKaValues for Organic Acids in Nonaqueous Solution
inferredcites →https://doi.org/10.1021/jp012533fopenalex-snapshot
Accurate Prediction of Acidity Constants in Aqueous Solution via Density Functional Theory and Self-Consistent Reaction Field Methods
inferredcites →https://doi.org/10.1021/jp053522fopenalex-snapshot
Density Functional Studies of Actinyl Aquo Complexes Studied Using Small-Core Effective Core Potentials and a Scalar Four-Component Relativistic Method
inferredcites →https://doi.org/10.1021/jp305876ropenalex-snapshot
First Principles pKa Calculations on Carboxylic Acids Using the SMD Solvation Model: Effect of Thermodynamic Cycle, Model Chemistry, and Explicit Solvent Molecules
inferredcites →https://doi.org/10.1021/jp408460xopenalex-snapshot
Tuning Amidoximate to Enhance Uranyl Binding: A Density Functional Theory Study
inferredcites →https://doi.org/10.1021/jp410274nopenalex-snapshot
Quantum-Chemical Predictions of p K a ’s of Thiols in DMSO
inferredcites →https://doi.org/10.1021/jp8097928openalex-snapshot
Exchanges of Uranium(VI) Species in Amidoxime-Functionalized Sorbents
inferredcites →https://doi.org/10.1038/280665a0openalex-snapshot
Extraction of uranium from seawater by polymer-bound macrocyclic hexaketone
inferredcites →https://doi.org/10.1038/nchem.1856openalex-snapshot
A protein engineered to bind uranyl selectively and with femtomolar affinity
inferredcites →https://doi.org/10.1038/nchem.1880openalex-snapshot
Coordination chemistry in the ocean
inferredcites →https://doi.org/10.1038/nmat2247openalex-snapshot
Nuclear energy for the future
inferredcites →https://doi.org/10.1039/c2dt30978eopenalex-snapshot
Sequestering uranium from seawater: binding strength and modes of uranyl complexes with glutarimidedioxime
inferredcites →https://doi.org/10.1039/c2ra21344copenalex-snapshot
Highly selective extraction of the uranyl ion with hydrophobic amidoxime-functionalized ionic liquids via η2 coordination
inferredcites →https://doi.org/10.1039/c3dt51767eopenalex-snapshot
Complexation of glutarimidedioxime with Fe(iii), Cu(ii), Pb(ii), and Ni(ii), the competing ions for the sequestration of U(vi) from seawater
inferredcites →https://doi.org/10.1039/c3dt52206gopenalex-snapshot
Quantifying the binding strength of U( vi ) with phthalimidedioxime in comparison with glutarimidedioxime
inferredcites →https://doi.org/10.1039/c3ta13949bopenalex-snapshot
Simple small molecule carbon source strategy for synthesis of functional hydrothermal carbon: preparation of highly efficient uranium selective solid phase extractant
inferredcites →https://doi.org/10.1039/c4cc06370hopenalex-snapshot
Structural clues to UO 2 2+ /VO 2 + competition in seawater extraction using amidoxime-based extractants
inferredcites →https://doi.org/10.1039/c4cp05508jopenalex-snapshot
Ligand-exchange mechanism: new insight into solid-phase extraction of uranium based on a combined experimental and theoretical study
inferredcites →https://doi.org/10.1039/c4dt02442gopenalex-snapshot
Structural characterization of environmentally relevant ternary uranyl citrate complexes present in aqueous solutions and solid state materials
inferredcites →https://doi.org/10.1039/c4gc02020kopenalex-snapshot
N,N,N-Trimethyl benzyl ammonium bis-(2-ethylhexyl)-phosphonate grafted polymer – a solid supported ionic liquid for the separation of uranium from aqueous processing streams
inferredcites →https://doi.org/10.1039/c4ob02456gopenalex-snapshot
“One-pot” synthesis of amidoxime via Pd-catalyzed cyanation and amidoximation
inferredcites →https://doi.org/10.1039/c4ra10428eopenalex-snapshot
Hydrothermal growth of large-size UO 2 nanoparticles mediated by biomass and environmental implications
inferredcites →https://doi.org/10.1039/c4ta03276dopenalex-snapshot
Uranium recovery from seawater: development of fiber adsorbents prepared via atom-transfer radical polymerization
inferredcites →https://doi.org/10.1039/c5cc04112kopenalex-snapshot
Fluorescent recognition of uranyl ions by a phosphorylated cyclic peptide
inferredcites →https://doi.org/10.1063/1.3244041openalex-snapshot
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
inferredcites →https://doi.org/10.1063/1.466847openalex-snapshot
Energy-adjusted pseudopotentials for the actinides. Parameter sets and test calculations for thorium and thorium monoxide
inferredcites →https://doi.org/10.1063/1.476988openalex-snapshot
Theoretical studies of the structures and vibrational frequencies of actinide compounds using relativistic effective core potentials with Hartree–Fock and density functional methods: UF6, NpF6, and PuF6
inferredcites →https://doi.org/10.1073/pnas.1421144111openalex-snapshot
Energetics of metastudtite and implications for nuclear waste alteration
inferredcites →https://doi.org/10.1080/00377990903543053openalex-snapshot
Adsorption Properties of Uranium (VI) Ions on Reactive Crosslinked Acrylamidoxime and Acrylic Acid Copolymer Resins
inferredcites →https://doi.org/10.1080/01496398708068609openalex-snapshot
Selective Elution of Uranium from Amidoxime Polymer. II
inferredcites →https://doi.org/10.1080/01932691.2012.666188openalex-snapshot
Improvement in Uranium Adsorption Properties of Amidoxime-Based Adsorbent Through Cografting of Amine Group
inferredcites →https://doi.org/10.1080/01932691003656946openalex-snapshot
Studies on the Uptake of Uranium(VI) Ions on Polyacrylamidoxime Resins Synthesized by Free Radical Polymerization with Different Crosslinking Ratios and Pore Solvents
inferredcites →https://doi.org/10.1081/ss-120030785openalex-snapshot
Adsorption Efficiency of a New Adsorbent Towards Uranium and Vanadium Ions at Low Concentrations
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
inferredcites →https://doi.org/10.1260/026361703773581812openalex-snapshot
Dynamic-State Adsorption and Elution Behaviour of Uranium(VI) Ions from Seawater by a Fibrous and Porous Adsorbent Containing Amidoxime Chelating Functional Groups
inferredcites →https://doi.org/10.1524/ract.2012.1983openalex-snapshot
The uranium recovery from aqueous solutions using amidoxime modified cellulose derivatives. I. Preparation, characterization and amidoxime conversion of radiation grafted ethyl cellulose-acrylonitrile copolymers
inferredcites →https://doi.org/10.1787/uranium-2011-enopenalex-snapshot
Uranium 2011

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inferred← citeshttps://doi.org/10.1016/j.envpol.2022.120826openalex-snapshot
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Advances in carbon adsorbents for uranium capture: from active sites to interfacial regulation
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Advances on constructing functional reticular materials for efficient determination of radionuclides
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Theoretical Insights on Improving Amidoxime Selectivity for Potential Uranium Extraction from Seawater
inferred← citeshttps://doi.org/10.1039/c6dt01293kopenalex-snapshot
Binding of oxime group to uranyl ion
inferred← citeshttps://doi.org/10.1039/c6dt02543aopenalex-snapshot
The coordination of amidoxime ligands with uranyl in the gas phase: a mass spectrometry and DFT study
inferred← citeshttps://doi.org/10.1039/c7dt03412aopenalex-snapshot
Displacement of carbonates in Ca 2 UO 2 (CO 3 ) 3 by amidoxime-based ligands from free-energy simulations
inferred← citeshttps://doi.org/10.1039/c7ra00404dopenalex-snapshot
The enhanced uranyl–amidoxime binding by the electron-donating substituents
inferred← citeshttps://doi.org/10.1039/c9qo00267gopenalex-snapshot
Structural and computational characterization of a bridging zwitterionic-amidoxime uranyl complex
inferred← citeshttps://doi.org/10.1039/d1dt01900gopenalex-snapshot
Theoretical insights into the possible applications of amidoxime-based adsorbents in neptunium and plutonium separation
inferred← citeshttps://doi.org/10.3390/app10165455openalex-snapshot
Biomass-Based Cellulose Functionalized by Phosphonic Acid with High Selectivity and Capacity for Capturing U(VI) in Aqueous Solution
inferred← citeshttps://doi.org/10.3390/chemistry5020097openalex-snapshot
Synthetic and Structural Chemistry of Uranyl-Amidoxime Complexes: Technological Implications
inferred← citeshttps://doi.org/10.6023/a22010054openalex-snapshot
Theoretical Studies on the Interaction of Uranyl with Carboxylic Acids and Oxime Ligands
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