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A theoretical investigation on Cu/Ag/Au bonding in XH2P⋯MY(X = H, CH3, F, CN, NO2; M = Cu, Ag, Au; Y = F, Cl, Br, I) complexes

The Journal of chemical physics, 2018-05, Vol.148 (19), p.194106-194106

2018

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Theoretical study on the stability of the complexes A···BX3 [A = CH3NH3+, NH2CHNH2+, NH2CHOH+; B = Sn2+, Pb2+; X = F−, Cl−, Br−, I−]

Journal of molecular modeling, 2020-03, Vol.26 (3), p.46-46, Article 46

2020

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Ratiometric Fluorescent Sensor Based on Inhibition of Resonance for Detection of Cadmium in Aqueous Solution and Living Cells

Inorganic chemistry, 2011-04, Vol.50 (8), p.3680-3690

2011

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Geometric structures, electronic characteristics, stabilities, catalytic activities, and descriptors of graphene-based single-atom catalysts

Nano materials science, 2020-06, Vol.2 (2), p.120-131

2020

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Methane Activation on (Au/Ag) 1 -Doped Vanadium Oxide Clusters

Wuli huaxue xuebao, 2019, Vol.35 (9), p.1005-1013

2019

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A descriptor for the structural stability of organic–inorganic hybrid perovskites based on binding mechanism in electronic structure

Journal of molecular modeling, 2022-04, Vol.28 (4), p.80-80, Article 80

2022

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Benzodithiophene bridged dimeric perylene diimide amphiphiles as efficient solution-processed non-fullerene small molecules

Polymer chemistry, 2013, Vol.4 (17), p.4631

2013

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DFT investigation of adsorption of a CO molecule on small WmXn(m+n≤6,X= Cu , Mo ) clusters

European physical journal plus, 2018-11, Vol.133 (11)

2018

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N-(1-Naphthyl) Ethylenediamine Dinitrate: A New Matrix for Negative Ion MALDI-TOF MS Analysis of Small Molecules

Journal of the American Society for Mass Spectrometry, 2012-09, Vol.23 (9), p.1454-1460

2012

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Ligand-free nano-grain Cu2SnS3 as a potential cathode alternative for both cobalt and iodine redox electrolyte dye-sensitized solar cells

Journal of materials chemistry. A, Materials for energy and sustainability, 2016-01, Vol.4 (38), p.14865-14876

2016

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Adsorption energies of molecular oxygen on Au clusters

The Journal of chemical physics, 2004-05, Vol.120 (20), p.9594-9600

2004

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Support effects in single atom iron catalysts on adsorption characteristics of toxic gases (NO2, NH3, SO3 and H2S)

Applied surface science, 2018-04, Vol.436, p.585-595

2018

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A comprehensive exploration of mercury adsorption sites on the carbonaceous surface: A DFT study

Fuel (Guildford), 2020-12, Vol.282, p.118781, Article 118781

2020

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Alkali metal cations control over nucleophilic substitutions on aromatic fused pyrimidine-2,4-[1H,3H]-diones: towards new PNA monomers

Tetrahedron, 2012-10, Vol.68 (43), p.8908-8915

2012

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Adsorption sensitivity of Fe decorated different graphene supports toward toxic gas molecules (CO and NO)

Applied surface science, 2018-10, Vol.456, p.351-359

2018

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The adsorption characteristics of mercury species on single atom iron catalysts with different graphene-based substrates

Applied surface science, 2018-10, Vol.455, p.940-951

2018

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Theoretical research on heterogeneous reduction of N2O by char

Applied thermal engineering, 2017-11, Vol.126, p.28-36

2017

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Directly catalytic reduction of NO without NH3 by single atom iron catalyst: A DFT calculation

Fuel (Guildford), 2019-05, Vol.243, p.262-270

2019

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CO2 hydrogenation to formic acid over platinum cluster doped defective graphene: A DFT study

Applied surface science, 2020-07, Vol.517, p.146200, Article 146200

2020

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Theoretical study on double-atom catalysts supported with graphene for electroreduction of nitrogen into ammonia

Electrochimica acta, 2020-03, Vol.335, p.135667, Article 135667

2020

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Chromism based on supramolecular H-bonds

Physical chemistry chemical physics : PCCP, 2013-07, Vol.15 (28), p.11960-11965

2013

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Theoretical study of nitric oxide adsorption on Au clusters

The Journal of chemical physics, 2004-08, Vol.121 (6), p.2558-2562

2004

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The study on gas phase dehydrogenation reactions of transition metal cation and ethylene

Molecular physics, 2023-02, Vol.121 (4)

2023

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High loads of rare earth single-atom lanthanum anchored carbon nitride with special double-layer coordination structure for efficient photocatalysis

Applied catalysis. B, Environmental, 2023-12, Vol.338, p.122979, Article 122979

2023

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Mechanochemical bromination of unburned carbon in fly ash and its mercury removal mechanism: DFT study

Journal of hazardous materials, 2022-02, Vol.423 (Pt B), p.127198-127198, Article 127198

2022

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A theoretical investigation on Cu/Ag/Au bonding in XH2P⋯MY(X = H, CH3, F, CN, NO2; M = Cu, Ag, Au; Y = F, Cl, Br, I) complexes

Theoretical study on the stability of the complexes A···BX3 [A = CH3NH3+, NH2CHNH2+, NH2CHOH+; B = Sn2+, Pb2+; X = F−, Cl−, Br−, I−]

Ratiometric Fluorescent Sensor Based on Inhibition of Resonance for Detection of Cadmium in Aqueous Solution and Living Cells

Geometric structures, electronic characteristics, stabilities, catalytic activities, and descriptors of graphene-based single-atom catalysts

Methane Activation on (Au/Ag) 1 -Doped Vanadium Oxide Clusters

A descriptor for the structural stability of organic–inorganic hybrid perovskites based on binding mechanism in electronic structure

Benzodithiophene bridged dimeric perylene diimide amphiphiles as efficient solution-processed non-fullerene small molecules

DFT investigation of adsorption of a CO molecule on small WmXn(m+n≤6,X= Cu , Mo ) clusters

N-(1-Naphthyl) Ethylenediamine Dinitrate: A New Matrix for Negative Ion MALDI-TOF MS Analysis of Small Molecules

Ligand-free nano-grain Cu2SnS3 as a potential cathode alternative for both cobalt and iodine redox electrolyte dye-sensitized solar cells

Adsorption energies of molecular oxygen on Au clusters

Support effects in single atom iron catalysts on adsorption characteristics of toxic gases (NO2, NH3, SO3 and H2S)

A comprehensive exploration of mercury adsorption sites on the carbonaceous surface: A DFT study

Alkali metal cations control over nucleophilic substitutions on aromatic fused pyrimidine-2,4-[1H,3H]-diones: towards new PNA monomers

Adsorption sensitivity of Fe decorated different graphene supports toward toxic gas molecules (CO and NO)

The adsorption characteristics of mercury species on single atom iron catalysts with different graphene-based substrates

Theoretical research on heterogeneous reduction of N2O by char

Directly catalytic reduction of NO without NH3 by single atom iron catalyst: A DFT calculation

CO2 hydrogenation to formic acid over platinum cluster doped defective graphene: A DFT study

Theoretical study on double-atom catalysts supported with graphene for electroreduction of nitrogen into ammonia

Chromism based on supramolecular H-bonds

Theoretical study of nitric oxide adsorption on Au clusters

The study on gas phase dehydrogenation reactions of transition metal cation and ethylene

High loads of rare earth single-atom lanthanum anchored carbon nitride with special double-layer coordination structure for efficient photocatalysis

Mechanochemical bromination of unburned carbon in fly ash and its mercury removal mechanism: DFT study

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