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Why the Reactive Oxygen Species of the Fenton Reaction Switches from Oxoiron(IV) Species to Hydroxyl Radical in Phosphate Buffer Solutions? A Computational Rationale

ACS omega, 2019-08, Vol.4 (9), p.14105-14113

Chen, Hsing-Yin

2019

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DFT study on the catalytic decomposition of hydrogen peroxide by iron complexes of nitrilotriacetate

Journal of computational chemistry, 2023-10, Vol.44 (26), p.2058-2072

2023

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A computational study of the Fenton reaction in different pH ranges

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (35), p.22890-22901

2018

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Grignard Reagent‐Mediated Regioselective 1,8‐Addition of α‐(2‐Thienylidene)‐β‐ketosulfones

Advanced synthesis & catalysis, 2023-07, Vol.365 (13), p.2264-2270

2023

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One‐Pot Synthesis of Bis‐sulfonyl Dibenzofurans via K2CO3‐Mediated Benzannulation of α‐Sulfonyl o‐Hydroxyacetophenones with 1,4‐Dichloro‐2‐butyne

Advanced synthesis & catalysis, 2023-11, Vol.365 (22), p.3942-3949

2023

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Synergistic Catalysis by Brønsted Acid/Carbodicarbene Mimicking Frustrated Lewis Pair‐Like Reactivity

Angewandte Chemie International Edition, 2021-09, Vol.60 (36), p.19949-19956

International ed. in English, 2021

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K2CO3-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles

Organic & biomolecular chemistry, 2024-05, Vol.22 (20), p.4108-4122

2024

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DFT mechanistic study on the formation of 8-oxoguanine and spiroiminodihydantoin mediated by iron Fenton reactions

Dalton transactions : an international journal of inorganic chemistry, 2021-07, Vol.5 (28), p.9842-985

2021

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Cyanation: Providing a Three-in-One Advantage for the Design of n-Type Organic Field-Effect Transistors

Chemistry : a European journal, 2007-01, Vol.13 (17), p.4750-4758

2007

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Synthesis of Distorted Nitrogen‐Doped Nanographenes by Partially Oxidative Cyclodehydrogenation Reaction

Chemistry, an Asian journal, 2022-03, Vol.17 (6), p.e202200114-n/a

2022

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Improvement of catalytic activity of aluminum complexes for the ring-opening polymerization of ε-caprolactone: aluminum thioamidate and thioureidate systems

Dalton transactions : an international journal of inorganic chemistry, 2023-11, Vol.52 (46), p.17132-17147

2023

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The Mechanical Behaviors of Polyethylene/Silver Nanoparticle Composites: an Insight from Molecular Dynamics study

Scientific reports, 2020-05, Vol.10 (1), p.7600-7600, Article 7600

2020

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Toward the Rational Design of Functionalized Pentacenes: Reduction of the Impact of Functionalization on the Reorganization Energy

Chemphyschem, 2006-09, Vol.7 (9), p.2003-2007

2006

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Denticity governs the formation of β-thioketiminato tri-copper() and mono-copper() complexes

Dalton transactions : an international journal of inorganic chemistry, 2023-06, Vol.52 (22), p.7652-7663

2023

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Cembranoid-Related Diterpenes, Novel Secoditerpenes, and an Unusual Bisditerpene from a Formosan Soft Coral Sarcophyton Tortuosum

Bulletin of the Chemical Society of Japan, 2021-11, Vol.94 (11), p.2774-2783

2021

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Investigating mechanical properties of polymethylmethacrylate/silver nanoparticle composites by molecular dynamics simulation

Journal of nanoparticle research : an interdisciplinary forum for nanoscale science and technology, 2018, Vol.20 (1), p.1-17, Article 1

2018

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The copper-catalyzed oxidative radical process of site selective C-N bond cleavage in twisted amides: batch and continuous-flow chemistry

Catalysis science & technology, 2023-03, Vol.13 (6), p.1633-1639

2023

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An excellent anode renders protic ionic liquids sustainable in metal electrodeposition

Green chemistry : an international journal and green chemistry resource : GC, 2020-03, Vol.22 (6), p.1821-1826

2020

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Unraveling the binding mechanisms of SARS-CoV-2 variants through molecular simulations

Heliyon, 2024-03, Vol.10 (5), p.e27193-e27193, Article e27193

2024

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Proton Transfer in Guanine−Cytosine Radical Anion Embedded in B-Form DNA

Journal of the American Chemical Society, 2009-11, Vol.131 (43), p.15930-15938

2009

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Effect of perfluorination on the charge-transport properties of organic semiconductors: density functional theory study of perfluorinated pentacene and sexithiophene

Chemical physics letters, 2005-01, Vol.401 (4), p.539-545

2005

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Prediction of Optical and Dielectric Properties of 4‑Cyano-4-pentylbiphenyl Liquid Crystals by Molecular Dynamics Simulation, Coarse-Grained Dynamics Simulation, and Density Functional Theory Calculation

Journal of physical chemistry. C, 2016-07, Vol.120 (26), p.14277-14288

2016

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Catalytic polymerization of naphthalene by HF/BF3 super acid: an ab initio density functional theory study

Physical chemistry chemical physics : PCCP, 2018, Vol.20 (36), p.23311-23319

2018

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Structure and nitrite reduction reactivity study of bio-inspired copper()-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands

Dalton transactions : an international journal of inorganic chemistry, 2018-04, Vol.47 (15), p.5335-5341

2018

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Synthesis and Photophysical Characterization of 2,3‐Dihydroquinolin‐4‐imines: New Fluorophores with Color‐Tailored Emission

Chemistry : a European journal, 2018-01, Vol.24 (5), p.1112-1120

2018

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Why the Reactive Oxygen Species of the Fenton Reaction Switches from Oxoiron(IV) Species to Hydroxyl Radical in Phosphate Buffer Solutions? A Computational Rationale

DFT study on the catalytic decomposition of hydrogen peroxide by iron complexes of nitrilotriacetate

A computational study of the Fenton reaction in different pH ranges

Grignard Reagent‐Mediated Regioselective 1,8‐Addition of α‐(2‐Thienylidene)‐β‐ketosulfones

One‐Pot Synthesis of Bis‐sulfonyl Dibenzofurans via K2CO3‐Mediated Benzannulation of α‐Sulfonyl o‐Hydroxyacetophenones with 1,4‐Dichloro‐2‐butyne

Synergistic Catalysis by Brønsted Acid/Carbodicarbene Mimicking Frustrated Lewis Pair‐Like Reactivity

K2CO3-mediated annulation of 1,3-acetonedicarboxylates with 2-fluoro-1-nitroarenes: synthesis of indoles

DFT mechanistic study on the formation of 8-oxoguanine and spiroiminodihydantoin mediated by iron Fenton reactions

Cyanation: Providing a Three-in-One Advantage for the Design of n-Type Organic Field-Effect Transistors

Synthesis of Distorted Nitrogen‐Doped Nanographenes by Partially Oxidative Cyclodehydrogenation Reaction

Improvement of catalytic activity of aluminum complexes for the ring-opening polymerization of ε-caprolactone: aluminum thioamidate and thioureidate systems

The Mechanical Behaviors of Polyethylene/Silver Nanoparticle Composites: an Insight from Molecular Dynamics study

Toward the Rational Design of Functionalized Pentacenes: Reduction of the Impact of Functionalization on the Reorganization Energy

Denticity governs the formation of β-thioketiminato tri-copper() and mono-copper() complexes

Cembranoid-Related Diterpenes, Novel Secoditerpenes, and an Unusual Bisditerpene from a Formosan Soft Coral Sarcophyton Tortuosum

Investigating mechanical properties of polymethylmethacrylate/silver nanoparticle composites by molecular dynamics simulation

The copper-catalyzed oxidative radical process of site selective C-N bond cleavage in twisted amides: batch and continuous-flow chemistry

An excellent anode renders protic ionic liquids sustainable in metal electrodeposition

Unraveling the binding mechanisms of SARS-CoV-2 variants through molecular simulations

Proton Transfer in Guanine−Cytosine Radical Anion Embedded in B-Form DNA

Effect of perfluorination on the charge-transport properties of organic semiconductors: density functional theory study of perfluorinated pentacene and sexithiophene

Prediction of Optical and Dielectric Properties of 4‑Cyano-4-pentylbiphenyl Liquid Crystals by Molecular Dynamics Simulation, Coarse-Grained Dynamics Simulation, and Density Functional Theory Calculation

Catalytic polymerization of naphthalene by HF/BF3 super acid: an ab initio density functional theory study

Structure and nitrite reduction reactivity study of bio-inspired copper()-nitro complexes in steric and electronic considerations of tridentate nitrogen ligands

Synthesis and Photophysical Characterization of 2,3‐Dihydroquinolin‐4‐imines: New Fluorophores with Color‐Tailored Emission

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