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Fast coupling and detoxification of aqueous halobenzoquinones by extracellular nucleophiles: The relationship among structures, pathways and toxicity 期刊论文
CHEMICAL ENGINEERING JOURNAL, 2022, 卷号: 438, 页码: 13
Authors:  Zhong, Chen;  Zhao, He;  Cao, Hongbin;  Huang, Ching-Hua
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Dichlorobenzoquinone  Nucleophiles  Transformation pathways  Toxicity  Density functional theory  
Degradation of potassium alkyl xanthogenate in wet air oxidation: Enhancement method, degradation mechanism and structure impact 期刊论文
JOURNAL OF ENVIRONMENTAL CHEMICAL ENGINEERING, 2022, 卷号: 10, 期号: 2, 页码: 9
Authors:  Sun, Sihan;  Ren, Mingzhu;  Pan, Fusheng;  Yuan, Ling;  Ning, Pengge;  Sun, Zhi;  Xie, Yongbing;  Cao, Hongbin
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Wet air oxidation  Xanthate  Advanced oxidation processes  Wastewater treatment  Density functional theory  
A promising catalytic solution of NO reduction by CO using g-C3N4/TiO2: A DFT study 期刊论文
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2022, 卷号: 610, 页码: 152-163
Authors:  Ren, Yuehong;  Han, Qingzhen;  Yang, Jie;  Zhao, Yuehong;  Xie, Yongbing;  Wen, Hao;  Jiang, Zhaotan
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g-C3N4/TiO2  NO reduction  CO  Reaction mechanism  Density functional theory  
A classical density functional approach to depletion interaction of Lennard-Jones binary mixtures 期刊论文
Communications in Theoretical Physics, 2022, 卷号: 74, 期号: 3
Authors:  Chen,Yue;  Chen,Wei;  Chen,Xiaosong
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molecular simulation  density functional theory  depletion interaction  soft matter physics  colloid–polymer mixtures  
Density functional theory study of adsorption of ionic liquids on graphene oxide surface 期刊论文
CHEMICAL ENGINEERING SCIENCE, 2021, 卷号: 245, 页码: 13
Authors:  He, Yanjing;  Guo, Yandong;  Yan, Fang;  Yu, Tianhao;  Liu, Lei;  Zhang, Xiaochun;  Zheng, Tao
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Ionic liquids  Graphene oxide  Density functional theory  Adsorption  
Study on the correlation between Fe/Ti forms and reaction activity high-alumina coal fly ash 期刊论文
SCIENCE OF THE TOTAL ENVIRONMENT, 2021, 卷号: 792, 页码: 7
Authors:  Yang, Chennian;  Zhang, Jianbo;  Hou, Xinjuan;  Li, Shaopeng;  Li, Huiquan;  Zhu, Ganyu;  Qi, Fang
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High-alumina coal fly ash  Iron  Titanium  Sulfuric acid leaching  Density functional theory  
Efficient Electrochemical Reduction of CO2 to CO in Ionic Liquids 期刊论文
CHEMISTRYSELECT, 2021, 卷号: 6, 期号: 37, 页码: 9873-9879
Authors:  Hu, Yanjie;  Feng, Jiaqi;  Zhang, Xiangping;  Gao, Hongshuai;  Jin, Saimeng;  Liu, Lei;  Shen, Weifeng
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Ionic liquid  CO2 reduction  Electrolysis  Carbon monoxide  Density functional theory  
Molecular designing of tetra-aryl-p-benzoquinones derivatives toward strong optical properties 期刊论文
CHEMICAL PAPERS, 2021, 页码: 11
Authors:  Kiran, Adeela;  Ali, Usman;  Hussain, Amjad;  Ahmad, Hafiz Muhammad Rizwan;  Abbas, Faheem;  Memon, Tarique Ahmed;  Hussain, Abid
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Arylated p-benzoquinone  Density functional theory  Geometry optimization  UV  visible spectra  Density of states  
The relationship between failure mechanism of nickel-rich layered oxide for lithium batteries and the research progress of coping strategies: a review 期刊论文
IONICS, 2021, 页码: 36
Authors:  Zhu, Boyuan;  Yu, Zhihui;  Meng, Long;  Xu, Ziyang;  Lv, Caixia;  Wang, Yu;  Wei, Guangye;  Qu, Jingkui
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Lithium-ion battery  Nickel-rich layered oxide  Mechanism discussion  Modification strategy  Density functional theory simulation  
Nitrile group as IR probe to detect the structure and hydrogen-bond properties of piperidinium/pyrrolidinium based ionic liquids and acetonitrile mixtures 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2021, 卷号: 322, 页码: 9
Authors:  Zheng, Yan-Zhen;  Zhou, Yu;  He, Hong-Yan;  Guo, Rui;  Chen, Da-Fu
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Ionic liquids  Acetonitrile  Hydrogen-bond  Density functional theory  Infrared spectroscopy  Excess spectra