DFT Calculation on the Thermodynamic Properties of Polychlorinated Dibenzo-p-dioxins: Intramolecular Cl−Cl Repulsion Effects and Their Thermochemical Implications
Author:
Affiliation:
1. School of Environmental Science and Engineering, Pohang University of Science and Technology, Pohang 790-784, Korea
2. Department of Chemistry, PaiChai University, 493-6 Doma-dong, Seoku, Taejun 302-735, Korea
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp027133m
Reference37 articles.
1. Environmental fate of combustion-generated polychlorinated dioxins and furans
2. Thermodynamic Modeling of PCDD/Fs Formation in Thermal Processes
3. Copper-catalyzed dechlorination/hydrogenation of polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and other chlorinated aromatic compounds
4. Thermodynamic study on the reduction of the polychlorinated dibenzo-p-dioxins and dibenzofurans in incinerator exhausts
Cited by 51 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. DFT study of the possible mechanisms for the synthesis of α-cyanophosphonates from β- nitrostyrenes;2023-12-13
2. Biodegradation mechanisms of polycyclic aromatic hydrocarbons: Combination of instrumental analysis and theoretical calculation;Chemosphere;2023-11
3. Theoretical research on cage-like furazan-based energetic compounds and its derivatives;Journal of Molecular Modeling;2021-08-10
4. Quantum Chemical Investigation of Polychlorinated Dibenzodioxins, Dibenzofurans and Biphenyls: Relative Stability and Planarity Analysis;Molecules;2020-12-03
5. Theoretical studies on oxadiazole-based layer stacking nitrogen-rich high-performance insensitive energetic materials;Journal of Molecular Modeling;2020-10-09
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