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Lista de obras de WeiQun Shi

A Quasi-relativistic Density Functional Theory Study of the Actinyl(VI, V) (An = U, Np, Pu) Complexes with a Six-Membered Macrocycle Containing Pyrrole, Pyridine, and Furan Subunits

artículo científico publicado en 2015

A Tetra-amido-Protected Ge5-Spiropentadiene

scientific article published on 26 November 2019

A density functional theory study of complex species and reactions of Am(III)/Eu(III) with nitrate anions

A neptunium(v)-mediated interwoven transuranium-rotaxane network incorporating a mechanically interlocked [c2]daisy chain unit

artículo científico publicado en 2018

Actinide (An = Th-Pu) dimetallocenes: promising candidates for metal-metal multiple bonds

artículo científico publicado en 2015

Actinide Separation Inspired by Self-Assembled Metal-Polyphenolic Nanocages

scientific article published on 21 September 2020

Actinide-Based Porphyrinic MOF as a Dehydrogenation Catalyst

artículo científico publicado en 2018

Adsorption and dissociation of H2O on the (001) surface of uranium mononitride: energetics and mechanism from first-principles investigation

artículo científico publicado en 2016

Adsorption of uranyl species on hydroxylated titanium carbide nanosheet: A first-principles study.

artículo científico publicado en 2016

An Unprecedented Two-Fold Nested Super-Polyrotaxane: Sulfate-Directed Hierarchical Polythreading Assembly of Uranyl Polyrotaxane Moieties

artículo científico publicado en 2016

Aryl Diazonium-Assisted Amidoximation of MXene for Boosting Water Stability and Uranyl Sequestration via Electrochemical Sorption

artículo científico publicado en 2020

Bimetallic Uranyl Organic Frameworks Supported by Transition-Metal-Ion-Based Metalloligand Motifs: Synthesis, Structure Diversity, and Luminescence Properties

artículo científico publicado en 2018

Bipyridine-Directed Syntheses of Uranyl Compounds Containing Semirigid Dicarboxylate Linkers: Diversity and Consistency in Uranyl Speciation

scientific article published on 30 April 2019

Complexation behavior of Eu(III) and Am(III) with CMPO and Ph2CMPO ligands: insights from density functional theory

artículo científico publicado en 2013

Coordination of Eu(III) with 1,10-Phenanthroline-2,9-dicarboxamide Derivatives: A Combined Study by MS, TRLIF, and DFT

artículo científico publicado en 2019

Copper/Zinc-Directed Heterometallic Uranyl-Organic Polycatenating Frameworks: Synthesis, Characterization, and Anion-Dependent Structural Regulation

artículo científico publicado en 2016

Density functional theory investigations of the trivalent lanthanide and actinide extraction complexes with diglycolamides

artículo científico publicado en 2014

Density functional theory studies of UO2(2+) and NpO2(+) complexes with carbamoylmethylphosphine oxide ligands.

artículo científico publicado en 2012

Design criteria for tetradentate phenanthroline-derived heterocyclic ligands to separate Am(III) from Eu(III)

Different Interaction Mechanisms of Eu(III) and (243)Am(III) with Carbon Nanotubes Studied by Batch, Spectroscopy Technique and Theoretical Calculation.

artículo científico publicado en 2015

Effective Removal of Anionic Re(VII) by Surface-Modified Ti2CT x MXene Nanocomposites: Implications for Tc(VII) Sequestration

artículo científico publicado en 2019

Efficient Photocatalytic Reduction of Aqueous Perrhenate and Pertechnetate

scientific article published on 04 September 2019

Efficient U(VI) Reduction and Sequestration by Ti2CT x MXene

scientific article published on 10 September 2018

Efficient removal of uranium from aqueous solution by zero-valent iron nanoparticle and its graphene composite

artículo científico publicado en 2015

Electronic structures and bonding of the actinide halides An(TRENTIPS)X (An = Th-Pu; X = F-I): a theoretical perspective

scientific article published on 09 November 2020

Enhanced Photocatalytic Removal of Uranium(VI) from Aqueous Solution by Magnetic TiO2/Fe3O4 and Its Graphene Composite.

artículo científico publicado en 2017

Estimation of the composition of intermetallic compounds in LiCl-KCl molten salt by cyclic voltammetry.

artículo científico publicado en 2016

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

artículo científico publicado en 2015

Excellent selectivity for actinides with a tetradentate 2,9-diamide-1,10-phenanthroline ligand in highly acidic solution: a hard-soft donor combined strategy.

artículo científico publicado en 2014

Exploring New Assembly Modes of Uranyl Terephthalate: Templated Syntheses and Structural Regulation of a Series of Rare 2D → 3D Polycatenated Frameworks.

artículo científico publicado en 2017

Exploring actinide materials through synchrotron radiation techniques

artículo científico publicado en 2014

Extending the Use of Highly Porous and Functionalized MOFs to Th(IV) Capture

artículo científico publicado en 2017

First three-dimensional actinide polyrotaxane framework mediated by windmill-like six-connected oligomeric uranyl: dual roles of the pseudorotaxane precursor

scientific article published on 02 August 2016

High selectivity towards small copper ions by a preorganized phenanthroline-derived tetradentate ligand and new insight into the complexation mechanism

artículo científico publicado en 2014

Hydrophilic Sulfonated 2,9-Diamide-1,10-phenanthroline Endowed with a Highly Effective Ligand for Separation of Americium(III) from Europium(III): Extraction, Spectroscopy, and Density Functional Theory Calculations

scientific article published on 15 December 2020

Impact of Al2O3 on the Aggregation and Deposition of Graphene Oxide

artículo científico publicado en 2014

Insight into the Extraction Mechanism of Americium(III) over Europium(III) with Pyridylpyrazole: A Relativistic Quantum Chemistry Study.

artículo científico publicado en 2018

Interactions between uranium(vi) and phosphopeptide: experimental and theoretical investigations.

artículo científico publicado en 2016

Introduction of bifunctional groups into mesoporous silica for enhancing uptake of thorium(IV) from aqueous solution

artículo científico publicado en 2014

Kinked-Helix Actinide Polyrotaxanes from Weakly Bound Pseudorotaxane Linkers with Variable Conformations

artículo científico publicado en 2020

Large-Pore 3D Cubic Mesoporous (KIT-6) Hybrid Bearing a Hard-Soft Donor Combined Ligand for Enhancing U(VI) Capture: An Experimental and Theoretical Investigation

artículo científico publicado en 2017

Loading Actinides in Multilayered Structures for Nuclear Waste Treatment: The First Case Study of Uranium Capture with Vanadium Carbide MXene

artículo científico publicado en 2016

MOF-76: from a luminescent probe to highly efficient U(VI) sorption material

artículo científico publicado en 2013

Machine-Learning-Guided Identification of Coordination Polymer Ligands for Crystallizing Separation of Cs/Sr

artículo científico publicado en 2022

Metal-Carboxyl Helical Chain Secondary Units Supported Ion-Exchangeable Anionic Uranyl-Organic Framework

artículo científico publicado en 2019

Mixed-Ligand Uranyl Polyrotaxanes Incorporating a Sulfate/Oxalate Coligand: Achieving Structural Diversity via pH-Dependent Competitive Effect

artículo científico publicado en 2017

Modification of a Carbon Nanobelt with Actinides Th-Am: A Density Functional Theory Study

artículo científico publicado en 2019

New Insight into GO, Cadmium(II), Phosphate Interaction and Its Role in GO Colloidal Behavior

artículo científico publicado en 2016

New insight of coordination and extraction of uranium(VI) with N-donating ligands in room temperature ionic liquids: N,N'-diethyl-N,N'-ditolyldipicolinamide as a case study.

artículo científico publicado en 2015

New insights into the selectivity of four 1,10-phenanthroline-derived ligands toward the separation of trivalent actinides and lanthanides: a DFT based comparison study

artículo científico publicado en 2016

Nitration activates tyrosine toward reaction with the hydrated electron

artículo científico publicado en 2011

Noncomplexed Cucurbituril-Mediated Structural Evolution of Layered Uranyl Terephthalate Compounds

artículo científico publicado en 2019

Novel Viologen Derivative Based Uranyl Coordination Polymers Featuring Photochromic Behaviors.

artículo científico publicado en 2017

Paving the way for the synthesis of a series of divalent actinide complexes: a theoretical perspective

artículo científico publicado en 2016

Performance and Mechanism for the Selective Separation of Trivalent Americium from Lanthanides by a Tetradentate Phenanthroline Ligand in Ionic Liquid

artículo científico publicado en 2020

Potassium Ions Induced Framework Interpenetration for Enhancing the Stability of Uranium-Based Porphyrin MOF with Visible-Light-Driven Photocatalytic Activity

scientific article published on 31 December 2020

Probing the influence of phosphonate bonding modes to uranium(VI) on structural topology and stability: a complementary experimental and computational investigation

artículo científico publicado en 2015

Quantum Chemistry Study of Uranium(VI), Neptunium(V), and Plutonium(IV,VI) Complexes with Preorganized Tetradentate Phenanthrolineamide Ligands

artículo científico publicado en 2014

Rational Construction of Porous Metal-Organic Frameworks for Uranium(VI) Extraction: The Strong Periodic Tendency with a Metal Node

artículo científico publicado en 2020

Rational control of the interlayer space inside two-dimensional titanium carbides for highly efficient uranium removal and imprisonment.

artículo científico publicado en 2017

Releasing Metal-Coordination Capacity of Cucurbit[6]uril Macrocycle in Pseudorotaxane Ligands for the Construction of Interwoven Uranyl-Rotaxane Coordination Polymers

artículo científico publicado en 2018

Selective Separation and Coordination of Europium(III) and Americium(III) by Bisdiglycolamide Ligands: Solvent Extraction, Spectroscopy, and DFT Calculations

scientific article published on 11 September 2020

Semirigid Tripodal Ligand Based Uranyl Coordination Polymer Isomers Featuring 2D Honeycomb Nets.

artículo científico publicado en 2018

Solvent-Dependent Synthesis of Porous Anionic Uranyl-Organic Frameworks Featuring a Highly Symmetrical (3,4)-Connected ctn or bor Topology for Selective Dye Adsorption.

artículo científico publicado en 2016

Stepwise ortho Chlorination of Carboxyl Groups for Promoting Structure Variance of Heterometallic Uranyl-Silver Coordination Polymers of Isonicotinate.

artículo científico publicado en 2018

Structural Diversity of Bipyridinium-Based Uranyl Coordination Polymers: Synthesis, Characterization, and Ion-Exchange Application

scientific article published on 01 October 2019

Supramolecular Host-Guest Inclusion for Distinguishing Cucurbit[7]uril-Based Pseudorotaxanes from Small-Molecule Ligands in Coordination Assembly with a Uranyl Center.

artículo científico publicado en 2017

Supramolecular Isomers of Coordination-Directed Side-Chain Polypseudorotaxanes Based on Trimeric Uranyl Oxalate Nodes.

artículo científico publicado en 2017

Supramolecular inclusion-based molecular integral rigidity: a feasible strategy for controlling the structural connectivity of uranyl polyrotaxane networks

artículo científico publicado en 2015

Synthesis and Electrochemical Properties of Two-Dimensional Hafnium Carbide

artículo científico publicado en 2017

Temperature-induced reversible single-crystal-to-single-crystal isomerisation of uranyl polyrotaxanes: an exquisite case of coordination variability of the uranyl center.

artículo científico publicado en 2017

Template-Free Synthesis and Mechanistic Study of Porous Three-Dimensional Hierarchical Uranium-Containing and Uranium Oxide Microspheres

artículo científico publicado en 2014

Terminal U≡E (E = N, P, As, Sb, and Bi) bonds in uranium complexes: a theoretical perspective

scientific article published on 26 January 2015

Tetranuclear Uranyl Polyrotaxanes: Preferred Selectivity toward Uranyl Tetramer for Stabilizing a Flexible Polyrotaxane Chain Exhibiting Weakened Supramolecular Inclusion

artículo científico publicado en 2015

The first case of actinide triple helices: pH-dependent structural evolution and kinetically-controlled transformation of two supramolecular conformational isomers

artículo científico publicado en 2015

The first case of an actinide polyrotaxane incorporating cucurbituril: a unique 'dragon-like' twist induced by a specific coordination pattern of uranium

scientific article published on 26 February 2014

The templated synthesis of a unique type of tetra-nuclear uranyl-mediated two-fold interpenetrating uranyl-organic framework

artículo científico publicado en 2015

Theoretical Insights into Modification of Nitrogen-Donor Ligands to Improve Performance on Am(III)/Eu(III) Separation

artículo científico publicado en 2020

Theoretical Insights into Preorganized Pyridylpyrazole-Based Ligands toward the Separation of Am(III)/Eu(III)

artículo científico publicado en 2018

Theoretical Insights into the Selective Extraction of Americium(III) over Europium(III) with Dithioamide-Based Ligands

scientific article published on 09 July 2019

Theoretical Prediction of the Potential Applications of Phenanthroline Derivatives in Separation of Transplutonium Elements

artículo científico publicado en 2020

Theoretical insights into selective separation of trivalent actinide and lanthanide by ester and amide ligands based on phenanthroline skeleton

artículo científico publicado en 2020

Theoretical insights into the separation of Am(III) over Eu(III) with PhenBHPPA.

artículo científico publicado en 2015

Theoretical insights on the interaction of uranium with amidoxime and carboxyl groups.

artículo científico publicado en 2014

Theoretical investigation on multiple bonds in terminal actinide nitride complexes.

artículo científico publicado en 2014

Theoretical probing of twenty-coordinate actinide-centered boron molecular drums

artículo científico publicado en 2021

Theoretical studies on the AnO2(n+) (An = U, Np; n = 1, 2) complexes with di-(2-ethylhexyl)phosphoric acid

artículo científico publicado en 2015

Theoretically unraveling the separation of Am(iii)/Eu(iii): insights from mixed N,O-donor ligands with variations of central heterocyclic moieties

artículo científico publicado en 2017

Thermodynamic study on the complexation of Am(III) and Eu(III) with tetradentate nitrogen ligands: a probe of complex species and reactions in aqueous solution

scientific article published on 13 December 2011

Two-Dimensional Inorganic Cationic Network of Thorium Iodate Chloride with Unique Halogen-Halogen Bonds

artículo científico publicado en 2016

Tyrosine phosphorylation/dephosphorylation regulates peroxynitrite-mediated peptide nitration

artículo científico publicado en 2007

Understanding the Bonding Nature of Uranyl Ion and Functionalized Graphene: A Theoretical Study

Understanding the interactions of neptunium and plutonium ions with graphene oxide: scalar-relativistic DFT investigations

artículo científico publicado en 2014

Uranyl Compounds Involving a Weakly Bonded Pseudorotaxane Linker: Combined Effect of pH and Competing Ligands on Uranyl Coordination and Speciation

scientific article published on 11 February 2019

Uranyl-Organic Coordination Compounds Incorporating Photoactive Vinylpyridine Moieties: Synthesis, Structural Characterization, and Light-Induced Fluorescence Attenuation

scientific article published on 13 November 2018