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Investigation on the electronic structures and nonlinear optical properties of alkali metal atom doped all‐cis 1,2,3,4,5,6‐hexafluorocyclohexane

International journal of quantum chemistry, 2018-08, Vol.118 (15), p.n/a

2018

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Effects of the atomic number of alkali atom and pore size of graphyne on the second‐order nonlinear optical response of superalkali salts of graphynes OM3+@GYs− (M = Li, Na, and K)

International journal of quantum chemistry, 2021-02, Vol.121 (4), p.n/a

2021

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Mechanisms and Activity of 1‐Phenylethanol Dehydrogenation Catalyzed by Bifunctional NHC‐IrIII Complex

European journal of organic chemistry, 2019-06, Vol.2019 (24), p.3929-3936

2019

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Elucidation of the Forces Governing the Stereochemistry of Biphenyl

European journal of organic chemistry, 2013-01, Vol.2013 (3), p.611-616

2013

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Influence of secondary decay on chemical freeze-out temperature isospin effect measurement

The European physical journal. A, Hadrons and nuclei, 2021-02, Vol.57 (2), Article 53

2021

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The effect of group-substitution on the sensitization properties of alkynylrhenium(I) tricarbonyl diimine complexes adsorbed to TiO2(101) film surface: a theoretical study

Journal of molecular modeling, 2020-02, Vol.26 (2), p.34-34, Article 34

2020

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Li-decorated B-doped biphenylene network for reversible hydrogen storage

Fuel (Guildford), 2024-02, Vol.357, p.129652, Article 129652

2024

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Site difference influence of anchored Ru in mesoporous carbon on electrocatalytic performance toward pH-universal hydrogen evolution reaction

Rare metals, 2023-12, Vol.42 (12), p.4015-4028

2023

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Computational Discovery of High-Temperature Ferromagnetic Semiconductor Monolayer H–MnN2

ACS omega, 2024-01, Vol.9 (1), p.1389-1397

2024

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A Perfectly Square-Planar Tetracoordinated Oxygen in a Tetracopper Cluster-Based Coordination Polymer

Journal of the American Chemical Society, 2011-04, Vol.133 (13), p.4788-4790

2011

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MoO3/C-supported Pd nanoparticles as an efficient bifunctional electrocatalyst for ethanol oxidation and oxygen reduction reactions

Rare metals, 2023-05, Vol.42 (5), p.1516-1525

2023

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Effects of charging, strain, and doping on the interaction between H2 and nitrogen-rich Penta-CN2 sheet

International journal of hydrogen energy, 2022-09, Vol.47 (80), p.34183-34194

2022

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A Twelve-Connected Cu6S4 Cluster-Based Coordination Polymer

Journal of the American Chemical Society, 2005-06, Vol.127 (21), p.7670-7671

2005

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Sc/Ti decorated novel C24N24 cage: Promising hydrogen storage materials

International journal of hydrogen energy, 2021-02, Vol.46 (10), p.7390-7401

2021

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Defect and interstitial B synergistically promote the stability and H2 dissociation of Pd6 supported by graphene

International journal of hydrogen energy, 2022-08, Vol.47 (66), p.28423-28433

2022

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Theoretical investigation of the mechanism for the cycloaddition of CO2 to epoxides catalyzed by a magnesium(II) porphyrin complex

Journal of molecular modeling, 2015-07, Vol.21 (7), p.179-179, Article 179

2015

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A giant enhancement of magnetic moment in a ternary three-shell icosahedral cluster: Fe@Mn12@Au20

Molecular physics, 2020-04, Vol.118 (7)

2020

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Role of donor defects in enhancing ferromagnetism of Cu-doped ZnO films

Journal of applied physics, 2009-05, Vol.105 (10), p.103914-103914-6

2009

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Metal-free B4@g-C3N4: a potential electrocatalyst for highly selective and efficient conversion of CO to ethanol

Journal of materials chemistry. A, Materials for energy and sustainability, 2023-08, Vol.11 (34), p.18365-18374

2023

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Theoretical Study on the Mechanism of Palladium-Catalyzed Dearomatization Reaction of Chloromethylnaphthalene

Organometallics, 2013-01, Vol.32 (1), p.52-62

2013

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Investigation of hydrogen storage on Sc/Ti-decorated novel B24N24

International journal of hydrogen energy, 2020-11, Vol.45 (58), p.33740-33750

2020

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O2 adsorbed on Ptn clusters: Structure and optical absorption

AIP advances, 2018-03, Vol.8 (3), p.035307-035307-9

2018

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Electronic and magnetic properties of 5d transition metal substitution doping monolayer antimonene: within GGA and GGA + U framework

Applied surface science, 2020-04, Vol.508, p.145197, Article 145197

2020

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DFT/TDDFT studies of the ancillary ligand effects on structures and photophysical properties of rhenium (I) tricarbonyl complexes with the imidazo[4,5-f]-1,10-phenanthroline ligand

International journal of quantum chemistry, 2015-10, Vol.115 (20), p.1467-1474

2015

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Room temperature ferromagnetism in metallic and insulating (In1− x Fe x )2O3 thin films

Journal of applied physics, 2011-03, Vol.109 (5)

2011

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Investigation on the electronic structures and nonlinear optical properties of alkali metal atom doped all‐cis 1,2,3,4,5,6‐hexafluorocyclohexane

Effects of the atomic number of alkali atom and pore size of graphyne on the second‐order nonlinear optical response of superalkali salts of graphynes OM3+@GYs− (M = Li, Na, and K)

Mechanisms and Activity of 1‐Phenylethanol Dehydrogenation Catalyzed by Bifunctional NHC‐IrIII Complex

Elucidation of the Forces Governing the Stereochemistry of Biphenyl

Influence of secondary decay on chemical freeze-out temperature isospin effect measurement

The effect of group-substitution on the sensitization properties of alkynylrhenium(I) tricarbonyl diimine complexes adsorbed to TiO2(101) film surface: a theoretical study

Li-decorated B-doped biphenylene network for reversible hydrogen storage

Site difference influence of anchored Ru in mesoporous carbon on electrocatalytic performance toward pH-universal hydrogen evolution reaction

Computational Discovery of High-Temperature Ferromagnetic Semiconductor Monolayer H–MnN2

A Perfectly Square-Planar Tetracoordinated Oxygen in a Tetracopper Cluster-Based Coordination Polymer

MoO3/C-supported Pd nanoparticles as an efficient bifunctional electrocatalyst for ethanol oxidation and oxygen reduction reactions

Effects of charging, strain, and doping on the interaction between H2 and nitrogen-rich Penta-CN2 sheet

A Twelve-Connected Cu6S4 Cluster-Based Coordination Polymer

Sc/Ti decorated novel C24N24 cage: Promising hydrogen storage materials

Defect and interstitial B synergistically promote the stability and H2 dissociation of Pd6 supported by graphene

Theoretical investigation of the mechanism for the cycloaddition of CO2 to epoxides catalyzed by a magnesium(II) porphyrin complex

A giant enhancement of magnetic moment in a ternary three-shell icosahedral cluster: Fe@Mn12@Au20

Role of donor defects in enhancing ferromagnetism of Cu-doped ZnO films

Metal-free B4@g-C3N4: a potential electrocatalyst for highly selective and efficient conversion of CO to ethanol

Theoretical Study on the Mechanism of Palladium-Catalyzed Dearomatization Reaction of Chloromethylnaphthalene

Investigation of hydrogen storage on Sc/Ti-decorated novel B24N24

O2 adsorbed on Ptn clusters: Structure and optical absorption

Electronic and magnetic properties of 5d transition metal substitution doping monolayer antimonene: within GGA and GGA + U framework

DFT/TDDFT studies of the ancillary ligand effects on structures and photophysical properties of rhenium (I) tricarbonyl complexes with the imidazo[4,5-f]-1,10-phenanthroline ligand

Room temperature ferromagnetism in metallic and insulating (In1− x Fe x )2O3 thin films

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