Estimation of the aqueous solubility (−lgSw) of all polychlorinated dibenzo-furans (PCDF) and polychlorinated dibenzo-p-dioxins (PCDD) congeners by density functional theory-Reference-Cited by-同舟云学术

Estimation of the aqueous solubility (−lgSw) of all polychlorinated dibenzo-furans (PCDF) and polychlorinated dibenzo-p-dioxins (PCDD) congeners by density functional theory

Published:2006-06 Issue:1 Volume:766 Page:25-33
ISSN:0166-1280
Container-title:Journal of Molecular Structure: THEOCHEM
language:en
Short-container-title:Journal of Molecular Structure: THEOCHEM

Author:

Yang Guoying,Zhang Xingchuan,Wang Zunyao,Liu Hongxia,Ju Xuehai

Publisher

Elsevier BV

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry

Reference23 articles.

1. Mathematical relationships between vapor pressure, water solubility, Henry's law constant, n-octanol/water partition coefficent and gas chromatographic retention index of polychlorinated-dibenzo-dioxins

2. Gas Chromatographic Derivation of the Solubility Parameters of Polychbrinated Biphenyls with the Inclusion ofCis-Transand Optical Isomerism and Orientational Disorder

3. Derivation of solubility parameters of chlorinated dibenzofurans and dibenzo[p]dioxins from gas chromatographic retention parameters via SOFA

4. Partition constants of chlorinated dibenzofurans and dibenzo-p-dioxins

5. The n-octanol and n-hexane/water partition coefficient of environmentally relevant chemicals predicted from the mobile order and disorder (MOD) thermodynamics

Cited by 25 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Importance of PCDD/F molecules’ polarizability and steric hindrance on their adsorption onto zeolites in a standard EN1948-1 sampling device for incinerator emission monitoring;Chemosphere;2020-11

2. Predicting the Aqueous Solubility of PCDD/Fs by using QSPR Method Based on the Molecular Distance-Edge Vector Index;Polycyclic Aromatic Compounds;2015-10-19

3. Estimating the physicochemical properties of polyhalogenated aromatic and aliphatic compounds using UPPER: Part 2. Aqueous solubility, octanol solubility and octanol–water partition coefficient;Chemosphere;2015-01

4. Single-descriptor based quantum-chemical QSPRs for physico-chemical properties of polychlorinated-dibenzo-p-dioxins and -dibenzo-furans (PCDD/Fs): Exploring the role of electron-correlation;Chemosphere;2015-01

5. QSPR study on the photolysis half-life of PCDD/Fs adsorbed on spruce (Picea abies (L.) Karst.) needle surfaces under sunlight irradiation by using a molecular distance-edge vector index;RSC Advances;2015