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Promoting halogen-bonding catalyzed living radical polymerization through ion-pair strain

Chemical science (Cambridge), 2022-10, Vol.13 (38), p.11352-11359

2022

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Photo-induced removal of uranium under air without external photocatalysts

Green chemistry : an international journal and green chemistry resource : GC, 2022-09, Vol.24 (18), p.792-799

2022

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Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States

Journal of chemical theory and computation, 2017-10, Vol.13 (10), p.4829-4840

2017

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Polarization consistent basis sets using the projector augmented wave method: a renovation brought by PAW into Gaussian basis sets

Physical chemistry chemical physics : PCCP, 2020-12, Vol.22 (46), p.2737-2752

2020

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The additional nitrogen atom breaks the uranyl structure: a combined photoelectron spectroscopy and theoretical study of NUO2

Physical chemistry chemical physics : PCCP, 2023-02, Vol.25 (6), p.4794-4802

2023

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The unusual quadruple bonding of nitrogen in ThN

Nature communications, 2023-11, Vol.14 (1), p.7677-7677, Article 7677

2023

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Thermally Activated Delayed Fluorescence from d10‐Metal Carbene Complexes through Intermolecular Charge Transfer and Multicolor Emission with a Monomer–Dimer Equilibrium

Chemistry : a European journal, 2020-12, Vol.26 (71), p.17222-17229

2020

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Probing the nature of gold-carbon bonding in gold-alkynyl complexes

Nature communications, 2013-07, Vol.4 (1), p.2223-2223, Article 2223

2013

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Aurophilic attractions between a closed-shell molecule and a gold cluster

Faraday discussions, 2011, Vol.152, p.169-178

2011

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Periodicity and Covalency of [MX2]- (M = Cu, Ag, Au, Rg; X = H, Cl, CN) Complexes

European journal of inorganic chemistry, 2016-03, Vol.2016 (9), p.1395-1404

2016

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Anion Photoelectron Spectroscopy and Theoretical Study of HAuCN and [HAuCN] - : Spin-Orbit Coupling and Low-Lying Excited States

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-06, Vol.124 (23), p.4712-4719

2020

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Projector Augmented Wave Method Incorporated into Gauss-Type Atomic Orbital Based Density Functional Theory

Journal of chemical theory and computation, 2017-07, Vol.13 (7), p.3236-3249

2017

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Projector Augmented Wave Method with Gauss-Type Atomic Orbital Basis: Implementation of the Generalized Gradient Approximation and Mesh Grid Quadrature

Journal of chemical theory and computation, 2020-08, Vol.16 (8), p.4883-4898

2020

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Probing the structures and bonding of Ag/H end-capping acetylene and polyyne, AgC2nH− (n = 1, 2), a combined photoelectron imaging and quantum chemical calculation study

Chemical physics letters, 2022-09, Vol.802, p.139783, Article 139783

2022

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Probing the electronic structure and Au–C bonding in AuC2nH (n = 4–7) using photoelectron imaging spectroscopy and quantum chemical calculations

Physical chemistry chemical physics : PCCP, 2022-02, Vol.24 (8), p.5039-5047

2022

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Piezoelectric, Mechanical and Acoustic Properties of KNaNbOF₅ from First-Principles Calculations

Materials, 2015-12, Vol.8 (12), p.8578-8589

2015

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Unbridged Au(II)-Au(II) bonds are theoretically allowed

Chemical communications (Cambridge, England), 2013-03, Vol.49 (21), p.2103-2105

2013

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Thermally Activated Delayed Fluorescence from d 10 -Metal Carbene Complexes through Intermolecular Charge Transfer and Multicolor Emission with a Monomer-Dimer Equilibrium

Chemistry : a European journal, 2020-12, Vol.26 (71), p.17222-17229

2020

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Author Correction: The unusual quadruple bonding of nitrogen in ThN

Nature communications, 2023-12, Vol.14 (1), p.8471-8471, Article 8471

2023

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Probing Chemical Bonding and Electronic Structures in ThO– by Anion Photoelectron Imaging and Theoretical Calculations

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2017-03, Vol.121 (10), p.2108-2113

2017

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3D porous sulfur-graphdiyne with splendid electrocatalytic and energy storage application

Materials today chemistry, 2023-12, Vol.34, p.101756, Article 101756

2023

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DFT investigations of uranium complexation with amidoxime-, carboxyl- and mixed amidoxime/carboxyl-based host architectures for sequestering uranium from seawater

Inorganica Chimica Acta, 2016-02, Vol.441, p.117-125

2016

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On the gold-ligand covalency in linear [AuX2]− complexes

Dalton transactions : an international journal of inorganic chemistry, 2015-03, Vol.44 (12), p.5535-5546

2015

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Unravelling ligand topology effect on the binding of oxygen reduction reaction intermediates on Fe-Nx-C single-atom catalysts

Chinese journal of catalysis, 2024-04, Vol.59, p.214-224

2024

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Aspects of bonding in small gold clusters

International journal of mass spectrometry, 2013-11, Vol.354-355, p.15-18

2013

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Promoting halogen-bonding catalyzed living radical polymerization through ion-pair strain

Photo-induced removal of uranium under air without external photocatalysts

Multistate Complete-Active-Space Second-Order Perturbation Theory Based on Density Matrix Renormalization Group Reference States

Polarization consistent basis sets using the projector augmented wave method: a renovation brought by PAW into Gaussian basis sets

The additional nitrogen atom breaks the uranyl structure: a combined photoelectron spectroscopy and theoretical study of NUO2

The unusual quadruple bonding of nitrogen in ThN

Thermally Activated Delayed Fluorescence from d10‐Metal Carbene Complexes through Intermolecular Charge Transfer and Multicolor Emission with a Monomer–Dimer Equilibrium

Probing the nature of gold-carbon bonding in gold-alkynyl complexes

Aurophilic attractions between a closed-shell molecule and a gold cluster

Periodicity and Covalency of [MX2]- (M = Cu, Ag, Au, Rg; X = H, Cl, CN) Complexes

Anion Photoelectron Spectroscopy and Theoretical Study of HAuCN and [HAuCN] - : Spin-Orbit Coupling and Low-Lying Excited States

Projector Augmented Wave Method Incorporated into Gauss-Type Atomic Orbital Based Density Functional Theory

Projector Augmented Wave Method with Gauss-Type Atomic Orbital Basis: Implementation of the Generalized Gradient Approximation and Mesh Grid Quadrature

Probing the structures and bonding of Ag/H end-capping acetylene and polyyne, AgC2nH− (n = 1, 2), a combined photoelectron imaging and quantum chemical calculation study

Probing the electronic structure and Au–C bonding in AuC2nH (n = 4–7) using photoelectron imaging spectroscopy and quantum chemical calculations

Piezoelectric, Mechanical and Acoustic Properties of KNaNbOF₅ from First-Principles Calculations

Unbridged Au(II)-Au(II) bonds are theoretically allowed

Thermally Activated Delayed Fluorescence from d 10 -Metal Carbene Complexes through Intermolecular Charge Transfer and Multicolor Emission with a Monomer-Dimer Equilibrium

Author Correction: The unusual quadruple bonding of nitrogen in ThN

Probing Chemical Bonding and Electronic Structures in ThO– by Anion Photoelectron Imaging and Theoretical Calculations

3D porous sulfur-graphdiyne with splendid electrocatalytic and energy storage application

DFT investigations of uranium complexation with amidoxime-, carboxyl- and mixed amidoxime/carboxyl-based host architectures for sequestering uranium from seawater

On the gold-ligand covalency in linear [AuX2]− complexes

Unravelling ligand topology effect on the binding of oxygen reduction reaction intermediates on Fe-Nx-C single-atom catalysts

Aspects of bonding in small gold clusters

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