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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  
Strained carbocycle based hypergolic ionic fuels with the improved energy capacity 期刊论文
FUEL PROCESSING TECHNOLOGY, 2022, 卷号: 231, 页码: 9
Authors:  Jiao, Nianming;  Yuan, Yanyan;  Yao, Yuan;  Liu, Long;  Zhang, Yanqiang
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Hypergolic ionic liquid  Propellant  Ring strain  Energy  Density  
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  
Excess properties, spectral analyses and computational chemistry of the binary mixture of polyethylene glycol 200+1,3-propanediamine 期刊论文
JOURNAL OF MOLECULAR LIQUIDS, 2022, 卷号: 346, 页码: 12
Authors:  Li, Yong;  Yan, Hanwen;  Li, Xiaoxuan;  Li, Fu;  Cheng, Weiguo;  Dong, Li;  Zhang, Jianbin
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Density  Viscosity  1,3-propanediamine  Intermolecular interaction  Polyethylene glycol 200, DFT calculations  
Body centered non-fullerene acceptors substitution on triangular shaped Sub-phthalocyanines (SubPcs) based A-D-A organic solar cells: A step toward new strategies for better performances 期刊论文
OPTICAL AND QUANTUM ELECTRONICS, 2022, 卷号: 54, 期号: 1, 页码: 15
Authors:  Abbas, Faheem;  Ali, Usman;  Ahmad, Hafiz Muhammad Rizwan;  Tallat, Aqsa;  Shehzad, Aamir;  Zeb, Zonish;  Hussain, Iqbal;  Saeed, Aamir
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Sub-phthalocyanines  Triangular OSCs  Optical properties  Density of states  Transition density matrix  Non-fullerene acceptors  
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