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《环境科学与工程前沿(英文)》 2023年 第17卷 第9期 doi: 10.1007/s11783-023-1713-1
● Synergistic removal of carbamazepine (CBZ) was obtained in the FeS-S2O82– process.
关键词: FeS S2O82– Carbamazepine DFT calculations Degradation routes
《化学科学与工程前沿(英文)》 2023年 第17卷 第10期 页码 1503-1515 doi: 10.1007/s11705-022-2294-4
关键词: insoluble drugs polymer inhibition crystallization crystal growth kinetics DFT calculations
Quanyuan WEI, Yongshui QU, Tianwei TAN
《化学科学与工程前沿(英文)》 2011年 第5卷 第3期 页码 355-361 doi: 10.1007/s11705-010-0567-9
关键词: mass balance heat balance biomass pyrolysis economic benefit
Matteo Minelli, Maria Grazia De Angelis, Giulio C. Sarti
《化学科学与工程前沿(英文)》 2017年 第11卷 第3期 页码 405-413 doi: 10.1007/s11705-017-1615-5
关键词: solubility permeability glassy polymers NELF model diffusion
《环境科学与工程前沿(英文)》 2022年 第16卷 第7期 doi: 10.1007/s11783-021-1500-9
•Addition of hindered amine increased thermal stability and viscosity of TTTM.
关键词: Ternary transition-temperature mixture FT-IR and thermal stability analysis Viscosity and correlation study Eyring’s absolute rate theory CO2 solubility Density functional theory (DFT).
《环境科学与工程前沿(英文)》 2021年 第15卷 第5期 doi: 10.1007/s11783-021-1397-3
• Synthesis of NS-CNTS is used in a high desulfurization performance.
关键词: Dibenzothiophene (DBT) Tertiary methyl mercaptan Adsorption Carbon nano tube (CNT) Desulfurization Doping
《化学科学与工程前沿(英文)》 2022年 第16卷 第7期 页码 1090-1100 doi: 10.1007/s11705-021-2091-5
关键词: synthesis pyrimidin-4-amine derivatives 1 2 4-oxadiazole insecticidal activity structure-activity relationship
Electronic and mechanical responses of two-dimensional HfS
Mohammad SALAVATI
《结构与土木工程前沿(英文)》 2019年 第13卷 第2期 页码 486-494 doi: 10.1007/s11709-018-0491-5
Muhammad Farooq Saleem Khan, Jing Wu, Cheng Cheng, Mona Akbar, Chuanyang Liu, Bo Liu, Jian Shen, Yu Xin
《环境科学与工程前沿(英文)》 2020年 第14卷 第3期 doi: 10.1007/s11783-020-1219-z
关键词: Fluorescence Photophysical properties Effect of the substituent Toxic aromatic compounds
Bruno SUDRET,Hung Xuan DANG,Marc BERVEILLER,Asmahana ZEGHADI,Thierry YALAMAS
《结构与土木工程前沿(英文)》 2015年 第9卷 第2期 页码 121-140 doi: 10.1007/s11709-015-0290-1
关键词: polycrystalline aggregates crystal plasticity random fields spatial variability correlation structure
Ammonia adsorption on graphene and graphene oxide: a first-principles study
Yue PENG, Junhua LI
《环境科学与工程前沿(英文)》 2013年 第7卷 第3期 页码 403-411 doi: 10.1007/s11783-013-0491-6
关键词: graphene oxide first-principles calculations NH3 adsorption
New insights into mercury removal mechanism on CeO
Ling Li, Yu He, Xia Lu
《环境科学与工程前沿(英文)》 2018年 第12卷 第2期 doi: 10.1007/s11783-018-1007-1
关键词: Elemental mercury removal Surface adsorption Ceria First-principles calculations
Regulation of radicals by hydrogen-donor solvent in direct coal liquefaction
《化学科学与工程前沿(英文)》 2022年 第16卷 第12期 页码 1689-1699 doi: 10.1007/s11705-022-2186-7
关键词: direct coal liquefaction hydrogen-donor solvent induced pyrolysis radical mechanism density functional theory calculations
Hong GAO,Jie SONG,Shibin SHANG,Zhanqian SONG
《农业科学与工程前沿(英文)》 2017年 第4卷 第1期 页码 106-115 doi: 10.15302/J-FASE-2017133
关键词: dehydroabietic acid-based diarylamine DFT study fluorescent probe in vitro imaging
A combined experimental and theoretical study of micronized coal reburning
Hai ZHANG, Jiaxun LIU, Jun SHEN, Xiumin JIANG
《能源前沿(英文)》 2013年 第7卷 第1期 页码 119-126 doi: 10.1007/s11708-012-0226-6
关键词:
hydroxyl radicals
Fourier transform infrared spectroscopy (FTIR)
density functional theory (DFT)
homogeneous reaction mechanism
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标题 作者 时间 类型 操作
Performance and mechanism of carbamazepine removal by FeS-SO process: experimental investigation and DFTcalculations
期刊论文
Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms
期刊论文
Mass and heat balance calculations and economic evaluation of an innovative biomass pyrolysis project
Quanyuan WEI, Yongshui QU, Tianwei TAN
期刊论文
Predictive calculations of gas solubility and permeability in glassy polymeric membranes: An overview
Matteo Minelli, Maria Grazia De Angelis, Giulio C. Sarti
期刊论文
ternary transition temperature mixture (deep eutectic analogues) for CO absorption: Characterizations and DFT
期刊论文
Experimental and DFT insights into nitrogen and sulfur co-doped carbon nanotubes for effective desulfurization
期刊论文
Synthesis, insecticidal activities and DFT study of pyrimidin-4-amine derivatives containing the 1,2,4
期刊论文
fluorescence properties of 14 selected toxic single-ring aromatic compounds in water: Experimental and DFT
Muhammad Farooq Saleem Khan, Jing Wu, Cheng Cheng, Mona Akbar, Chuanyang Liu, Bo Liu, Jian Shen, Yu Xin
期刊论文
Characterization of random stress fields obtained from polycrystalline aggregate calculations using multi-scale
Bruno SUDRET,Hung Xuan DANG,Marc BERVEILLER,Asmahana ZEGHADI,Thierry YALAMAS
期刊论文
Ammonia adsorption on graphene and graphene oxide: a first-principles study
Yue PENG, Junhua LI
期刊论文