Development of an ONIOM-G3B3 Method to Accurately Predict C−H and N−H Bond Dissociation Enthalpies of Ribonucleosides and Deoxyribonucleosides
Author:
Affiliation:
1. Department of Chemistry, University of Science and Technology of China, Hefei 230026, China
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0508204
Reference63 articles.
1. Oxidative Strand Scission of Nucleic Acids: Routes Initiated by Hydrogen Abstraction from the Sugar Moiety
2. Structures and Energetics of Adenosine Radicals: (2‘-dAdo − H)•
3. DNA Nucleosides and Their Radical Anions: Molecular Structures and Electron Affinities
4. Radicals Derived from Adenine: Prediction of Large Electron Affinities with a Considerable Spread
5. The Adenine−Thymine Base Pair Radical Anion: Adding an Electron Results in a Major Structural Change
Cited by 49 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献
1. The Contribution of Theoretical Prediction Studies to the Antioxidant Activity Assessment of the Bioactive Secoiridoids Encountered in Olive Tree Products and By-Products;Molecules;2023-02-28
2. Toward high-level theoretical studies on the reaction kinetics of PAHs growth based on HACA pathway: An ONIOM[G3(MP2,CC)//B3LYP:DFT] method developed;Fuel;2021-10
3. Electron-Induced Repair of 2′-Deoxyribose Sugar Radicals in DNA: A Density Functional Theory (DFT) Study;International Journal of Molecular Sciences;2021-02-09
4. Substituent effects on the antioxidant capacity of monosubstituted diphenylamines: a DFT study;Vietnam Journal of Chemistry;2020-12
5. Relationship Investigation between C(sp2)–X and C(sp3)–X Bond Energies Based on Substituted Benzene and Methane;ACS Omega;2020-07-22
1.学者识别学者识别
2.学术分析学术分析
3.人才评估人才评估
"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370
www.globalauthorid.com
TOP
Copyright © 2019-2024 北京同舟云网络信息技术有限公司 京公网安备11010802033243号 京ICP备18003416号-3