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1070 积分 2024-04-26 加入
Density Functional Theory and Machine Learning-Based Quantitative Structure–Activity Relationship Models Enabling Prediction of Contaminant Degradation Performance with Heterogeneous Peroxymonosulfate Treatments
2天前
已完结
High-Throughput Screening and Prediction of Nucleophilicity of Amines Using Machine Learning and DFT Calculations
2天前
已完结
Synthesis, biological evaluation, theoretical calculations, QSAR and molecular docking studies of novel arylaminonaphthols as potent antioxidants and BChE inhibitors
2天前
已完结
3D flower-like CuO@NiAl-LDH microspheres with enhanced removal affinity to organic dyes: mechanistic insights, DFT calculations and toxicity assessment
2天前
已完结
Fenton-like process in antibiotic-containing wastewater treatment: applications and toxicity evaluation
3天前
已完结
Ionic liquid [FcMeBIMIoct] [Br−] catalyzed multicomponent synthesis, anticancer activity, in silico ADMET, DFT, QSAR and molecular docking studies of new dihydropyrimidinethiones
3天前
已完结
O‐Bridged Co‐Cu Dual‐Atom Catalyst Synergistically Triggers Interfacial Proton‐Coupled Electron Transfer: A New Approach to Sustainable Decontamination
3天前
已完结
Ordered mesoporous silica matrices supported ionic liquids for efficient CO2 separation from CO2/CH4 gas mixture: Experimental and theoretical investigation
3天前
已完结
Vacancy‐Anchored Sub‐Nanometer Ru Catalyst with High Activity and Strong Durability at 800 °C Dry Reforming of Methane
4天前
已完结
A Comprehensive Theoretical Study of the Mechanism for Dry Reforming of Methane on a Ni4/ZrO2(101) Catalyst Under External Electric Fields: The Role of Interface and Oxygen Vacancy
4天前
已完结
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