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• 化学研究所 [9]
• 大连化学物理研究所 [9]
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• 福建物质结构研究所 [6]
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• OAI收割 [70]
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• 2024 [2]
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• 2021 [2]
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• 2019 [7]
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学科主题

• Chemistry,... [1]
• Chemistry;... [1]
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浏览/检索结果: 共73条，第1-10条 帮助 条数/页： 5101520253035404550556065707580859095100 排序方式： 请选择提交时间升序提交时间降序作者升序作者降序题名升序题名降序发表日期升序发表日期降序 Evaluation of tetracycline photocatalytic degradation using NiFe2O4/CeO2/GO nanocomposite for environmental remediation: In silico molecular docking, antibacterial performance, degradation pathways, and DFT calculations 期刊论文  OAI收割 SEPARATION AND PURIFICATION TECHNOLOGY, 2024, 卷号: 351 作者:  Latif, Misbah;  Nawaz, Raziq;  Aziz, Muhammad Hammad;  Asif, Muhammad;  Noor, Fatima   |  收藏  |  浏览/下载：22/0  |  提交时间：2024/11/20 Graphene Oxide  Tetracycline hydrochloride (TC-HCl)  Photocatalyst  Density Functional Theory (DFT)  Photocatalysis  Antibacterial activity   New insights into brominated epoxy resin type WPCBs pyrolysis mechanisms: Integrated experimental and DFT simulation studies 期刊论文  OAI收割 SCIENCE OF THE TOTAL ENVIRONMENT, 2024, 卷号: 912, 页码: 11 作者:  Wu, Yufeng;  Tao, Ran;  Li, Bin;  Hu, Chenwei;  Zhang, Wei   |  收藏  |  浏览/下载：1/0  |  提交时间：2025/11/16 Pyrolysis  Waste printed circuit boards (WPCBs)  Brominated epoxy resins (BERs)  Density functional theory (DFT)  Reaction mechanisms   Pyrolysis mechanism and recycling strategy of end-of-life photovoltaic modules based on the experiment and the density functional theory 期刊论文  OAI收割 POLYMER DEGRADATION AND STABILITY, 2023, 卷号: 217, 页码: 12 作者:  Tao, Ran;  Li, Bin;  Wu, Yufeng;  Zhang, Wei;  Yuan, Haoran   |  收藏  |  浏览/下载：2/0  |  提交时间：2025/11/15 Pyrolysis  Photovoltaic (PV)  Ethylene -vinyl -acetate (EVA)  Density functional theory (DFT)  Recycling   Activated dissociation of H2 on the Cu(001) surface: The role of quantum tunneling 期刊论文  OAI收割 CHINESE PHYSICS B, 2023, 卷号: 32 作者:  Yu, Xiaofan;  Tong, Yangwu;  Yang, Yong   |  收藏  |  浏览/下载：33/0  |  提交时间：2023/11/10 H-2  Cu(001)  dissociation  quantum tunneling  density functional theory (DFT)  transfer matrix method   Highly sensitive and selective electrochemical detection of Pb(II) in serum via an alpha-Fe2O3/NiO heterostructure: Evidence from theoretical calculations and adsorption investigation 期刊论文  OAI收割 SENSORS AND ACTUATORS B-CHEMICAL, 2021, 卷号: 344 作者:  Wei, Juan;  Zhao, Jie;  Li, Chun-Yang;  Xie, Xiao-Yu;  Wei, Yuan-Yuan   |  收藏  |  浏览/下载：63/0  |  提交时间：2021/08/30 alpha-Fe2O3/NiO heterostructure  Electroanalysis of Pb(II)  Highly sensitive and selective  Density functional theory (DFT) calculation  Serum sample   有机半导体异质结的设计合成及其在光催化领域的应用 学位论文  OAI收割 北京: 中国科学院大学；中国科学院生态环境研究中心, 2021 作者:  赵卫佳   |  收藏  |  浏览/下载：44/0  |  提交时间：2022/06/24 光催化剂，异质结，氮化碳，共价有机框架，Dft（density Functional Theory）计算  photocatalyst, Heterojunction, Carbon Nitride, Covalent Organic Framework, Dft （density Functional Theory）calculation   Density functional theory (DFT) studies of vanadium-titanium based selective catalytic reduction (SCR) catalysts 期刊论文  OAI收割 JOURNAL OF ENVIRONMENTAL SCIENCES, 2020, 卷号: 90, 页码: 119-137 作者:  Zhao, Ziwei;  Li, Erwei;  Qin, Yu;  Liu, Xiaolong;  Zou, Yang   |  收藏  |  浏览/下载：41/0  |  提交时间：2020/05/06 Selective catalytic reduction (SCR)  Structure model  Vanadium-titanium based catalyst  Density functional theory (DFT)  Adsorption   Vibrational spectra of pyrazinamide and isoniazid studied by terahertz spectroscopy and density functional theory 期刊论文  OAI收割 SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 2020, 卷号: 228, 页码: 11 作者:  Liang, Jie;  Zhang, Xiaoxuan;  Wang, Nan;  Chang, Tianying;  Cui, Hong-Liang   |  收藏  |  浏览/下载：34/0  |  提交时间：2020/08/24 Terahertz time-domain spectroscopy (THz-TDS)  Anti-tuberculosis  Pyrazinamide  Isoniazid  Density functional theory (DFT)   N-dependent ozonation efficiency over nitrogen-containing heterocyclic contaminants: A combined density functional theory study on reaction kinetics and degradation pathways 期刊论文  OAI收割 CHEMICAL ENGINEERING JOURNAL, 2020, 卷号: 382, 页码: 10 作者:  Yao, Yujie;  Xie, Yongbing;  Zhao, Binran   |  收藏  |  浏览/下载：49/0  |  提交时间：2020/03/24 Nitrogen heterocyclic compounds (NHCs)  Ozonation  Density functional theory (DFT)  Reaction mechanism  Degradation pathway   石墨烯优化固体聚合物电解质电解法分离氢同位素的模拟分析 期刊论文  OAI收割 核技术, 2020, 卷号: 43, 期号: 10, 页码: 52-58 作者:  卫飞;  唐方东;  刘佳煜;  忻智炜;  曾友石   |  收藏  |  浏览/下载：46/0  |  提交时间：2021/04/25 石墨烯  氢同位素分离  密度泛函理论(Density Functional Theory,DFT)  SPE电解法  分离系数