Hydrogen Abstraction | List of Frontiers open access articles

Original Research

Published on 02 Sep 2022

A comparison of hydrogen abstraction reaction between allyl-type monomers with thioxanthone-based photoinitiators without amine synergists

in Theoretical and Computational Chemistry

Xiaotian Zhao
Wen Xu
Xi Chen
Shibo Lin
Xuanhao Li
Lihui He
Xu Liao
Guodong Ye

Frontiers in Chemistry

doi 10.3389/fchem.2022.967836

4,405 views
6 citations

Perspective

Published on 19 Jan 2022

Toward Accurate Formation Routes of Complex Organic Molecules in the Interstellar Medium: The Paradigmatic Cases of Acrylonitrile and Cyanomethanimine

in Astrochemistry

Vincenzo Barone
Cristina Puzzarini

Frontiers in Astronomy and Space Sciences

doi 10.3389/fspas.2021.814384

12,922 views
13 citations

Original Research

Published on 27 Aug 2021

Surface Reactivity of Carbonaceous Nanoparticles: The Importance of Surface Pocket

in Engine and Automotive Engineering

Hongyu Wang
Xiaoya Chang
Dongping Chen

Frontiers in Mechanical Engineering

doi 10.3389/fmech.2021.738354

4,548 views

Original Research

Published on 31 Jan 2022

On-The-Fly Kinetics of the Hydrogen Abstraction by Hydroperoxyl Radical: An Application of the Reaction Class Transition State Theory

in Theoretical and Computational Chemistry

Maciej Baradyn
Artur Ratkiewicz

Frontiers in Chemistry

doi 10.3389/fchem.2021.806873

4,021 views
1 citation

Original Research

Published on 10 Sep 2018

Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of N-Dealkylation of N,N-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant FeIV(O)(N4Py)(ClO4)2

in Theoretical and Computational Chemistry

Lili Yang
Xin Chen
Zexing Qu
Jiali Gao

Frontiers in Chemistry

doi 10.3389/fchem.2018.00406

4,149 views
8 citations

Original Research

Published on 10 Mar 2023

Engineering the catalytic properties of CeO2 catalyst in HCl-assisted propane dehydrogenation by effective doping: A first-principles-based microkinetic simulation

in Theoretical and Computational Chemistry

Faheem Jan
Min Yang
Nuodan Zhou
XiaoYing Sun
Bo Li

Frontiers in Chemistry

doi 10.3389/fchem.2023.1133865

3,284 views
4 citations

Original Research

Published on 31 Jan 2017

Suicide Inhibition of Cytochrome P450 Enzymes by Cyclopropylamines via a Ring-Opening Mechanism: Proton-Coupled Electron Transfer Makes a Difference

in Theoretical and Computational Chemistry

Xiaoqian Zhang
Xiao-Xi Li
Yufang Liu
Yong Wang

Frontiers in Chemistry

doi 10.3389/fchem.2017.00003

9,449 views
15 citations

Original Research

Published on 22 Sep 2017

Xanthates As Useful Probes for Testing the Active Sites of Cytochromes P450 4A11 and 2E1

in Drug Metabolism and Transport

Tsveta Stoyanova
Iglika Lessigiarska
Momir Mikov
Ilza Pajeva
Stanislav Yanev

Frontiers in Pharmacology

doi 10.3389/fphar.2017.00672

3,484 views
2 citations

Articles

A comparison of hydrogen abstraction reaction between allyl-type monomers with thioxanthone-based photoinitiators without amine synergists

Toward Accurate Formation Routes of Complex Organic Molecules in the Interstellar Medium: The Paradigmatic Cases of Acrylonitrile and Cyanomethanimine

Surface Reactivity of Carbonaceous Nanoparticles: The Importance of Surface Pocket

On-The-Fly Kinetics of the Hydrogen Abstraction by Hydroperoxyl Radical: An Application of the Reaction Class Transition State Theory

Combined Multistate and Kohn-Sham Density Functional Theory Studies of the Elusive Mechanism of N-Dealkylation of N,N-Dimethylanilines Mediated by the Biomimetic Nonheme Oxidant FeIV(O)(N4Py)(ClO4)2

Engineering the catalytic properties of CeO2 catalyst in HCl-assisted propane dehydrogenation by effective doping: A first-principles-based microkinetic simulation

Suicide Inhibition of Cytochrome P450 Enzymes by Cyclopropylamines via a Ring-Opening Mechanism: Proton-Coupled Electron Transfer Makes a Difference

Xanthates As Useful Probes for Testing the Active Sites of Cytochromes P450 4A11 and 2E1