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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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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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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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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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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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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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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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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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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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Effect of SO2 on HCl removal over ethanol-hydrated CaO adsorbent: Mechanism of competitive adsorption and product layer shielding

Chemical engineering journal (Lausanne, Switzerland : 1996), 2023-05, Vol.464, p.142516, Article 142516

2023

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Theoretical characters and nature of the intermolecular lithium bonded interactions B⋯LiCN/LiNC (B=pyridine, furan and thiophene)

Computational and theoretical chemistry, 2013-08, Vol.1017, p.153-158

2013

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Why Is C–C Coupling in CO2 Reduction Still Difficult on Dual-Atom Electrocatalysts?

ACS catalysis, 2023-07, Vol.13 (14), p.9695-9705

2023

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Theoretical study of partial oxidation of ethylene by vanadium trioxide cluster cation

Chinese science bulletin, 2009-08, Vol.54 (16), p.2814-2821

2009

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The effect of coordination environment on the kinetic and thermodynamic stability of single-atom iron catalysts

Physical chemistry chemical physics : PCCP, 2020-02, Vol.22 (7), p.3983-3989

2020

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Single-atom iron catalyst with single-vacancy graphene-based substrate as a novel catalyst for NO oxidation: a theoretical study

Catalysis science & technology, 2018, Vol.8 (16), p.4159-4168

2018

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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

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

Adsorption energies of molecular oxygen on Au clusters

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

Theoretical research on heterogeneous reduction of N2O by char

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

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

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

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

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

Effect of SO2 on HCl removal over ethanol-hydrated CaO adsorbent: Mechanism of competitive adsorption and product layer shielding

Theoretical characters and nature of the intermolecular lithium bonded interactions B⋯LiCN/LiNC (B=pyridine, furan and thiophene)

Why Is C–C Coupling in CO2 Reduction Still Difficult on Dual-Atom Electrocatalysts?

Theoretical study of partial oxidation of ethylene by vanadium trioxide cluster cation

The effect of coordination environment on the kinetic and thermodynamic stability of single-atom iron catalysts

Single-atom iron catalyst with single-vacancy graphene-based substrate as a novel catalyst for NO oxidation: a theoretical study

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