Detalhe da pesquisa
1.
Estimated pKa values for the environmentally relevant C1 through C8 perfluorinated sulfonic acid isomers.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 51(12): 1018-23, 2016 Oct 14.
Artigo
em Inglês
| MEDLINE | ID: mdl-27389973
2.
Performance of the major semiempirical, ab initio, and DFT methods for isomerization enthalpies of linear to branched heptanes.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 51(7): 583-7, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26979512
3.
Aqueous phase hydration and hydrate acidity of perfluoroalkyl and n:2 fluorotelomer aldehydes.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 51(7): 579-82, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26980678
4.
Air-water partition coefficients for a suite of polycyclic aromatic and other C10 through C20 unsaturated hydrocarbons.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 51(11): 938-53, 2016 Sep 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-27336293
5.
Use of the SPARC software program to calculate hydrolysis rate constants for the polymeric brominated flame retardants BC-58 and FR-1025.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 51(6): 509-13, 2016.
Artigo
em Inglês
| MEDLINE | ID: mdl-26889790
6.
Prediction of the air-water partition coefficient for perfluoro-2-methyl-3-pentanone using high-level Gaussian-4 composite theoretical methods.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 49(11): 1228-35, 2014 Sep 19.
Artigo
em Inglês
| MEDLINE | ID: mdl-24967555
7.
Thermodynamic properties of chloramine formation and related reactions during water treatment: a G4MP2, G4, and W1BD theoretical study.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 49(7): 753-62, 2014.
Artigo
em Inglês
| MEDLINE | ID: mdl-24679082
8.
pK(a) values of the monohydroxylated polychlorinated biphenyls (OH-PCBs), polybrominated biphenyls (OH-PBBs), polychlorinated diphenyl ethers (OH-PCDEs), and polybrominated diphenyl ethers (OH-PBDEs).
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 45(11): 1322-46, 2010 Sep.
Artigo
em Inglês
| MEDLINE | ID: mdl-20658412
9.
Dow and Kaw,eff vs. Kow and Kaw degrees: acid/base ionization effects on partitioning properties and screening commercial chemicals for long-range transport and bioaccumulation potential.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 45(12): 1550-94, 2010 Oct.
Artigo
em Inglês
| MEDLINE | ID: mdl-20721799
10.
Quantitative structure-activity relationship (QSAR) studies for predicting activation of the ryanodine receptor type 1 channel complex (RyR1) by polychlorinated biphenyl (PCB) congeners.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 45(3): 355-62, 2010.
Artigo
em Inglês
| MEDLINE | ID: mdl-20390877
11.
Modeling the hydrolysis of perfluorinated compounds containing carboxylic and phosphoric acid ester functions and sulfonamide groups.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 45(4): 432-46, 2010.
Artigo
em Inglês
| MEDLINE | ID: mdl-20390888
12.
Congener-specific organic carbon-normalized soil and sediment-water partitioning coefficients for the C1 through C8 perfluoroalkyl carboxylic and sulfonic acids.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 44(13): 1374-87, 2009 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-20183495
13.
A new class of perfluorinated acid contaminants: primary and secondary substituted perfluoroalkyl sulfonamides are acidic at environmentally and toxicologically relevant pH values.
J Environ Sci Health A Tox Hazard Subst Environ Eng
; 44(13): 1388-99, 2009 Nov.
Artigo
em Inglês
| MEDLINE | ID: mdl-20183496
14.
Comment on "QSAR model reproducibility and applicability: A case study of rate constants of hydroxyl radical reaction models applied to polybrominated diphenyl ethers and (Benzo-)triazoles".
J Comput Chem
; 34(20): 1794-5, 2013 Jul 30.
Artigo
em Inglês
| MEDLINE | ID: mdl-23677674
15.
Comment on "Screening criteria for long-range transport potential of organic substances in water".
Environ Sci Technol
; 47(7): 3543, 2013 Apr 02.
Artigo
em Inglês
| MEDLINE | ID: mdl-23444922
16.
Comment on "Letter to the Editor regarding, 'Polyfluorinated compounds: past, present, and future'".
Environ Sci Technol
; 47(5): 2151, 2013 Mar 05.
Artigo
em Inglês
| MEDLINE | ID: mdl-23425073
17.
Comment on "Prediction of soil sorption coefficients using model molecular structures for organic matter and the quantum mechanical COSMO-SAC model".
Environ Sci Technol
; 47(12): 6711-2, 2013 Jun 18.
Artigo
em Inglês
| MEDLINE | ID: mdl-23668906
18.
Comment on Screening for PBT chemicals among the "existing" and "new" chemicals of the EU.
Environ Sci Technol
; 47(11): 6063-4, 2013 Jun 04.
Artigo
em Inglês
| MEDLINE | ID: mdl-23635076
19.
Comment on "Atmospheric degradation of perfluoro-2-methyl-3-pentanone: photolysis, hydrolysis, and hydration".
Environ Sci Technol
; 47(9): 4953, 2013 May 07.
Artigo
em Inglês
| MEDLINE | ID: mdl-23551150
20.
Comment on "acute toxicity and n-octanol/water partition coefficients of substituted thiophenols: determination and QSAR analysis [Shi et al., Ecotoxicol. Environ. Saf. 78 (2012) 134-141]".
Ecotoxicol Environ Saf
; 93: 198, 2013 Jul.
Artigo
em Inglês
| MEDLINE | ID: mdl-23582131