位置：成果数据库 > 期刊 > 期刊详情页
DFT calculation on 76 polychlorophenazines: their thermodynamic function and implication of Cl subst
  • 期刊名称：International Journal of Chemical Engineering
  • 时间：0
  • 页码：1-6
  • 语言：英文
  • 相关项目：持久性有机污染物的典型环境过程及构效关系研究
作者： Wang Lian-sheng|Jiang Jian-lin|Wang Zun-yao|Yu Hong-xia|
同期刊论文项目
持久性有机污染物的典型环境过程及构效关系研究
期刊论文 139 会议论文 8
同项目期刊论文
环境中多溴联苯醚(PBDEs)的代谢转化研究现状
大气中芳樟醇与臭氧反应机理的理论研究
Three-Dimensional Quantitative Structure-Activity Relationships of flavonoids and estrogen receptors
Toxicity (–lgEC50) Measurement of the Fluorobenzene Derivants against Vibrio Qinghaiensis (Q67
DFT Study on the Thermodynamic Properties of Poly-bromine Carbazole
Determination of the Toxicities of 16 Halogenated Benzenes to Photobacterium Phosphoreum and 2D-and
Study of Stability and Thermodynamic Properties for Polychlorinated Dihydrophezines by Density Funct
环境内分泌干扰物的定量结构-活性相关研究
部分苯酚衍生物生物降解性的2D和3D-QSBR研究
多溴代二苯硫醚系列化合物的热力学性质和稳定性的理论研究
Cu2+对商用腐殖酸增溶4,4′-二溴联苯醚的影响
Dioxin Formations from the Radical/Radical Cross-Condensation of Phenoxy Radicals with 2-Chloropheno
Ligninase-Mediated Removal of 17ß-Estradiol from Water in the Presence of Natural Organic Matt
Density Functional Theory Calculation on Polychlorinated Anthraquinones: Their Gas Phase Thermodynam
Transformation of 17ß-Estradiol Mediated by Lignin Peroxidase: The Role of Veratryl Alcohol
Ligninase-Mediated Removal of Natural and Synthetic Estrogens from Water: II. Reactions of 17-Estrad
QSBR Study on the Biodegradation Rate Constant of Chloro-phenol Compounds
Gas Phase Thermodynamic Properties of Polychlorinated Xanthones Predicted with DFT Method and Cl Sub
Studies of thermodynamic properties and relative stability of a series of polyfluorinated dibenzo-p-
Studies of Thermodynamic Properties and Relative Stability of Polybrominated Xanthones by Density Fu
Novel evidence of cytochrome P450-catalyzed oxidation of phenanthrene in Phanerochaete chrysosporium
3D-QSAR study on the inhibitory activity of flavonoids on PIM-1 kinase
Improved 3D-QSAR analyses for the predictive toxicology of polybrominated diphenyl ethers with CoMFA
Thalassospira xianhensis sp. nov., a polycyclic aromatic hydrocarbon-degrading marine bacterium
Kinetic Properties for the Complete Series Reactions of Chlorophenols with OH Radicals—Relevan
Quantum Chemical and Kinetic Study on Dioxin Formation from the 2,4,6-TCP and 2,4-DCP Precursors
Exploring the binding features of polybrominated diphenyl ethers as estrogen receptor antagonists: d
Toxicogenomic Mechanisms of 6-HO-BDE-47, 6-MeO-BDE-47 and BDE-47 in E. Coli.
Mechanistic and kinetic study on the Atmospheric Photooxidation reaction of Vinyl acetate (VAC) with
Occurrence of Thyroid Hormone Activities in Drinking Water from Eastern China: Contributions of Phth
Mechanistic and kinetic study on the ozonolysis of ethyl vinyl ether and propyl vinyl ether
手性物质的QSAR研究及环境学意义
Theoretical study on hydrophilicity and thermodynamic properties of polyfluorinated dibenzofurans
DFT Calculation on Polychlorinated Phenarsazines: Their Gas Phase Thermodynamic Functions and the Im
Theoretical study on the mechanism and kinetics of the reaction of 2,2′,4,4′-tetrabromin
Thermodynamic Properties and Relative Stability of Polyhydroxylated Dibenzo-pdioxins Calculated by D
Mechanism and Direct Kinetics Study on the Homogeneous Gas-Phase Formation of PBDD/Fs from 2-BP, 2,4
Understanding Ligninase-Mediated Reactions of Endocrine Disrupting Chemicals in Water: Reaction Rate
Insights into the structural and conformational requirements of polybrominated diphenyl ethers and m
Structure–activity relationship study on the binding of PBDEs with thyroxine transport protein
Molecular docking and comparative molecular similarity indices analysis of estrogenicity of polybrom
In vitro profiling of endocrine disrupting potency of 2,2',4,4'-tetrabromodiphenyl ether (BDE47) and
Theoretical Study on the Chemical Mechanism of the Ocimene Ozonolysis Reaction: A Quantum Chemistry
The chemical mechanism of the limonene ozonolysis reaction in the SOA formation: A quantum chemistry
Secondary Organic Aerosol Formation Methanism by Heterogeneous Reaction of Isoprene with OH radical:
Mechanism and Direct Kinetic Study of the Polychlorinated Dibenzo-p-dioxin and Dibenzofuran Formatio
Studies of Structural and Thermodynamic Properties for Polychlorinated Thianthrenes by Density Funct
Sorption behavior of tetrabromobisphenol A in two soils with different characteristics
Microwave Assisted Rapid Photocatalytic Degradation of Malachite Green in TiO2 Suspensions: Mechanis
多氯二苯硫醚结构参数和热力学性质的密度泛函理论研究
Degradation Mechanism of PCDDs Initiated by OH radical in Photo-fenton Oxidation Technology: Quantum
Effects of dissolved organic matter from sewage sludge on sorption of tetrabromobisphenol A by soils
Computational note on thermodynamic function of Polychlorinated Phenoxathiins (PCPTs)
多溴噻蒽系列化合物的热力学性质的密度泛函理论
Determination of solubilities and n-Octanol/Water partition coefficients and QSPR study for substitu
Comparative Study on Thermodynamic Properties and Stabilities of Polychloro-phenazines and Polychlor
多溴二苯醚及其代谢物的内分泌干扰活性和构效关系研究进展
QSPR Study on the Boiling Points of Some Oxygenand Sulfur-containing Organic Compounds
Mechanism of OH-initiated Atmospheric Photooxidation of the Organophosphorus Insecticide (C2H5O)3PS
Visible light-driven photocatalytic degradation of rhodamine B over NaBiO3: pathways and mechanism
Mechanism for OH-Initiated Oxidation of n-Octane in the Presence of O2 and NO: A DFT Study
Microwave-enhanced H2O2-based process for treating aqueous malachite green solutions: intermediates
Thermodynamic Properties for Polybrominated Dibenzothiophenes by Density Functional Theory
酚类化合物的三维-定量结构与生物降解性关系(3D-QSBR)
硝基苯类化合物对斜生栅藻毒性的HQSAR分析
Mechanistic and Kinetic Studies on the Homogeneous Gas-phase Formation of PCDD/Fs from 2,4,5-Trichlo
Mechanism and Thermal Rate Constants for the Complete Series Reactions of Chlorophenols with H
DFT study on the bromination pattern dependence of electronic properties and their validity in quant
QSAR Study on the Non-monotonic Dose-response Curve of PCBs in Chicken Embryo Hepatocype Bioassay
多氯联苯鸡胚肝细胞生物活性非单调剂量响应关系的QSAR研究
6-HO-BDE-137对大鼠睾丸支持细胞的毒性
DFT Study of Structural and Thermodynamic Properties for Polybrominated 5,10-Dihydrophenazines
Anti-androgen activity of polybrominated diphenyl ethers determined by comparative molecular similar
QSPR of n-Octanol/water Partition Coefficient (lgKow) for Alkyl(1-phenylsulfonyl) Cycloalkane-carbox
Rapid Photocatalytic Destruction of Pentachlorophenol in F-Si-comodified TiO2 Suspensions under Micr
钯催化条件下形成碳硫键合成多氯代二苯硫醚
黄酮类化合物PIM-1激酶抑制活性的构效关系研究
Experimental and QSPR Studies on n-Octanol/water Partition Coefficient (lgKow) of Substituted Anilin
四溴双酚A的水溶性与辛醇/水分配系数及其影响因素初探
腐殖酸对土壤吸附四溴双酚A的影响
污水中溶解性有机质对土壤吸附四溴双酚A的影响
Cu^2＋对商用腐殖酸增溶4,4′-二溴联苯醚的影响
多氟代、多氯代和多溴代二苯并对二噁英化合物的一些性质的比较研究
光纤-固相微萃取耦合气相色谱法检测水中多溴联苯醚及其甲氧基衍生物
细胞培养液中多溴联苯醚以及代谢产物的GC-MS/MS测定方法
斑马鱼卵中多溴联苯醚及其衍生物的同步分析
OH抽提1-戊醇分子中α—H和β-H引发的大气反应机理的理论研究
应用分子全息QSRR预测有机磷化合物的色谱保留指数
酚类化合物气相色谱保留指数的定量结构相关性研究
Prediction of gas chromatographic retention indices of organophosphorus compounds by holographic QSRR
零价铁降解氯代有机污染物的QSPR研究
阳离子表面活性剂Aliquat336对水中双酚A的浊点萃取及作用机制
多溴代二苯胺热力学性质的密度泛函理论研究
简析分子对接模拟中雌激素受体的柔性
几种农药对发光菌毒性的测定和构效关系研究
黄酮类化合物与雌激素受体作用的三维定量构效关系
分子对接结合比较分子相似性指数分析用于雌激素类化合物活性预测和分子机理研究
邻苯二甲酸酯对土壤微生物群落多样性的影响
含氟取代苯类化合物lgKow和-lg1/EC50的QSPR研究
分子对接法研究多溴二苯醚衍生物与芳香化酶的作用机理
多溴二苯醚类化合物干扰人雌激素受体alpha活性机理的理论研究
Back-propagation network improved by conjugate gradient based on genetic algorithm in QSAR study on endocrine disrupting chemicals
Three-Dimensional Quantitative Structure-Activity Relationships of flavonoids and estrogen receptors based on docking
Combining docking and comparative molecular similarity indices analysis （COMSIA） to predict estrogen activity and probe molecular mechanisms of estrogen activity for estrogen compounds