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Theoretical Study of the NO Reduction Mechanism on Biochar Surfaces Modified by Li and Na Single Adsorption and OH Co-Adsorption

Molecules (Basel, Switzerland), 2024-01, Vol.29 (3), p.574

2024

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Reaction of CHCl•- with HCHO and H2O: A theoretical study

Computational and theoretical chemistry, 2022-11, Vol.1217, p.113932, Article 113932

2022

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Investigation on the Mechanism of PAL (100) Surface Modified by APTES

Molecules (Basel, Switzerland), 2023-07, Vol.28 (14), p.5417

2023

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A comparable DFT study on reaction of CHCl•− with O3 and S2O

Journal of molecular modeling, 2023-04, Vol.29 (4), p.85-85, Article 85

2023

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Effects of substitutions in the equatorial position on the stabilities of pentacoordinated silicon anions of ClSiabcOCl− (a, b, c = H, F, Cl) from theoretical investigation

Journal of the Chinese Chemical Society (Taipei), 2018-10, Vol.65 (10), p.1179-1187

2018

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Theoretical study of isomers XBEY, BEXY, and XYBE (E = N, P, and As, and X, Y = F and Cl): Substituent effect

Computational and theoretical chemistry, 2020-09, Vol.1185, p.112873, Article 112873

2020

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Insights into selectivity of some oxygen containing gases by the CHCl- anion from molecular simulation

Molecular simulation, 2023-05, Vol.49 (8), p.758-768

2023

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Investigation on Be, Mg, Ca, B, Ga, C, Si, and Ge atoms doped on Al (111) surface and their effect on oxygen adsorption: A first-principle calculation

Surfaces and interfaces, 2024-10, Vol.53, p.105075, Article 105075

2024

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COMPARATIVE INSIGHTS INTO HYDROGEN ABSTRACTION OF CCL3H BY SMALL OXYGEN-CONTAINING ANIONS MO− WITH M = BE, B, AND AL

Journal of the Chilean Chemical Society, 2021-09, Vol.66 (3), p.5273-5279

2021

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A Blockchain-Based Fairness Guarantee Approach for Privacy-Preserving Collaborative Training in Computing Force Network

Mathematics (Basel), 2024-02, Vol.12 (5), p.718

2024

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SN2 Reaction of IO− + CH3Cl: An Ab Initio and DFT Benchmark Study

Bulletin of the Chemical Society of Japan, 2015-01, Vol.88 (1), p.110-116

2015

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Synthesis and characterization of cyclodextrin-based acrylamide polymer flocculant for adsorbing water-soluble dyes in dye wastewater

Royal Society open science, 2020-01, Vol.7 (1), p.191519-191519

2020

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Theoretical Insights into Three Types of Oxidized Starch-Based Adhesives: Chemical Stability, Water Resistance, and Shearing Viscosity from a Molecular Viewpoint

Journal of chemistry, 2016-01, Vol.2016 (2016), p.1-10

2016

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Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite

Journal of chemistry, 2019-01, Vol.2019 (2019), p.1-6

2019

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Understanding halogen-substituent assistance in H-atom abstraction-based reactions of CHCl− with CH4 − nXn (X = H, F, Cl; n = 0-3)

Journal of physical organic chemistry, 2014-05, Vol.27 (5), p.392-400

2014

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Comparative Computational Study of Hydrogen Abstraction Reactions of CY3H + XO− (X, Y = F, Cl, and Br)

Heteroatom chemistry, 2016-07, Vol.27 (4), p.199-209

2016

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DFT study on the reactions of ClO–/BrO– with RCl (R = CH3, C2H5, and C3H7) in gas phase

Journal of molecular modeling, 2013-04, Vol.19 (4), p.1739-1750

2013

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Multiple chirality inversion of pyridine Schiff-base cholesterol-based metal-organic supramolecular polymers

Chemical communications (Cambridge, England), 2022-08, Vol.58 (68), p.952-9523

2022

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Metal-free and flexible surface-enhanced Raman scattering substrate based on oxidized carbon cloth

Carbon (New York), 2022-04, Vol.189, p.152-161

2022

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Superhydrophobic biochars as catalysts for efficient hydrogen transfer in N-heterocycles and nitrobenzene reactions

Fuel (Guildford), 2024-09, Vol.372, p.132224, Article 132224

2024

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Selective Adsorbent Design with Multifunctional Surfaces: Innovating Solutions for Heterogeneous Catalysis in Water

Langmuir, 2024-04, Vol.40 (17), p.9265-9279

2024

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First-principle calculations of sulfur dioxide adsorption on the palygorskite

Journal of physics. Conference series, 2024-02, Vol.2713 (1), p.12035

2024

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Evolution mechanism of SO2 adsorption on palygorskite (100) surface modified by APTES: Effect of different grafting modification

Computational and theoretical chemistry, 2023-06, Vol.1224, p.114130, Article 114130

2023

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In Situ‐Generated CuI Catalytic System for Oxidative N‐Formylation of N‐Heterocycles and Acyclic Amines with Methanol

ChemSusChem, 2023-02, Vol.16 (3), p.e202202104-n/a

2023

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In Situ-Generated Cu I Catalytic System for Oxidative N-Formylation of N-Heterocycles and Acyclic Amines with Methanol

ChemSusChem, 2023-02, Vol.16 (3), p.e202202104

2023

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Theoretical Study of the NO Reduction Mechanism on Biochar Surfaces Modified by Li and Na Single Adsorption and OH Co-Adsorption

Reaction of CHCl•- with HCHO and H2O: A theoretical study

Investigation on the Mechanism of PAL (100) Surface Modified by APTES

A comparable DFT study on reaction of CHCl•− with O3 and S2O

Effects of substitutions in the equatorial position on the stabilities of pentacoordinated silicon anions of ClSiabcOCl− (a, b, c = H, F, Cl) from theoretical investigation

Theoretical study of isomers XBEY, BEXY, and XYBE (E = N, P, and As, and X, Y = F and Cl): Substituent effect

Insights into selectivity of some oxygen containing gases by the CHCl- anion from molecular simulation

Investigation on Be, Mg, Ca, B, Ga, C, Si, and Ge atoms doped on Al (111) surface and their effect on oxygen adsorption: A first-principle calculation

COMPARATIVE INSIGHTS INTO HYDROGEN ABSTRACTION OF CCL3H BY SMALL OXYGEN-CONTAINING ANIONS MO− WITH M = BE, B, AND AL

A Blockchain-Based Fairness Guarantee Approach for Privacy-Preserving Collaborative Training in Computing Force Network

SN2 Reaction of IO− + CH3Cl: An Ab Initio and DFT Benchmark Study

Synthesis and characterization of cyclodextrin-based acrylamide polymer flocculant for adsorbing water-soluble dyes in dye wastewater

Theoretical Insights into Three Types of Oxidized Starch-Based Adhesives: Chemical Stability, Water Resistance, and Shearing Viscosity from a Molecular Viewpoint

Simulation Investigation on Flame Retardancy of the PVAc/ATP Nanocomposite

Understanding halogen-substituent assistance in H-atom abstraction-based reactions of CHCl− with CH4 − nXn (X = H, F, Cl; n = 0-3)

Comparative Computational Study of Hydrogen Abstraction Reactions of CY3H + XO− (X, Y = F, Cl, and Br)

DFT study on the reactions of ClO–/BrO– with RCl (R = CH3, C2H5, and C3H7) in gas phase

Multiple chirality inversion of pyridine Schiff-base cholesterol-based metal-organic supramolecular polymers

Metal-free and flexible surface-enhanced Raman scattering substrate based on oxidized carbon cloth

Superhydrophobic biochars as catalysts for efficient hydrogen transfer in N-heterocycles and nitrobenzene reactions

Selective Adsorbent Design with Multifunctional Surfaces: Innovating Solutions for Heterogeneous Catalysis in Water

First-principle calculations of sulfur dioxide adsorption on the palygorskite

Evolution mechanism of SO2 adsorption on palygorskite (100) surface modified by APTES: Effect of different grafting modification

In Situ‐Generated CuI Catalytic System for Oxidative N‐Formylation of N‐Heterocycles and Acyclic Amines with Methanol

In Situ-Generated Cu I Catalytic System for Oxidative N-Formylation of N-Heterocycles and Acyclic Amines with Methanol

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