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  • (-) Organizational Unit = Environmental Chemistry UCHEM
  • (-) Keywords ≠ biocides
  • (-) Keywords ≠ metabolites
  • (-) Eawag Authors = Arey, J. Samuel
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Gas-phase ozone reactions with a structurally diverse set of molecules: barrier heights and reaction energies evaluated by coupled cluster and density functional theory calculations
Trogolo, D., Arey, J. S., & Tentscher, P. R. (2019). Gas-phase ozone reactions with a structurally diverse set of molecules: barrier heights and reaction energies evaluated by coupled cluster and density functional theory calculations. Journal of Physical Chemistry A, 123(2), 517-536. https://doi.org/10.1021/acs.jpca.8b10323
Petroleum dynamics in the sea and influence of subsea dispersant injection during <i>Deepwater Horizon</i>
Gros, J., Socolofsky, S. A., Dissanayake, A. L., Jun, I., Zhao, L., Boufadel, M. C., … Arey, J. S. (2017). Petroleum dynamics in the sea and influence of subsea dispersant injection during Deepwater Horizon. Proceedings of the National Academy of Sciences of the United States of America PNAS, 114(38), 10065-10070. https://doi.org/10.1073/pnas.1612518114
Formation and reactivity of inorganic and organic chloramines and bromamines during oxidative water treatment
Heeb, M. B., Kristiana, I., Trogolo, D., Arey, J. S., & von Gunten, U. (2017). Formation and reactivity of inorganic and organic chloramines and bromamines during oxidative water treatment. Water Research, 110, 91-101. https://doi.org/10.1016/j.watres.2016.11.065
Predicting Partitioning and Diffusion Properties of Nonpolar Chemicals in Biotic Media and Passive Sampler Phases by GC × GC
Nabi, D., & Arey, J. S. (2017). Predicting partitioning and diffusion properties of nonpolar chemicals in biotic media and passive sampler phases by GC × GC. Environmental Science and Technology, 51(5), 3001-3011. https://doi.org/10.1021/acs.est.6b05071
Elevated concentrations of 4-bromobiphenyl and 1,3,5-tribromobenzene found in deep water of lake Geneva based on GC×GC-ENCI-TOFMS and GC×GC-μECD
Samanipour, S., Dimitriou-Christidis, P., Nabi, D., & Arey, J. S. (2017). Elevated concentrations of 4-bromobiphenyl and 1,3,5-tribromobenzene found in deep water of lake Geneva based on GC×GC-ENCI-TOFMS and GC×GC-μECD. ACS Omega, 2(2), 641-652. https://doi.org/10.1021/acsomega.6b00440
Equilibria and speciation of chloramines, bromamines, and bromochloramines in water
Trogolo, D., & Arey, J. S. (2017). Equilibria and speciation of chloramines, bromamines, and bromochloramines in water. Environmental Science and Technology, 51(1), 128-140. https://doi.org/10.1021/acs.est.6b03219
Pixel-by-pixel correction of retention time shifts in chromatograms from comprehensive two-dimensional gas chromatography coupled to high resolution time-of-flight mass spectrometry
Zushi, Y., Gros, J., Tao, Q., Reichenbach, S. E., Hashimoto, S., & Arey, J. S. (2017). Pixel-by-pixel correction of retention time shifts in chromatograms from comprehensive two-dimensional gas chromatography coupled to high resolution time-of-flight mass spectrometry. Journal of Chromatography A, 1508, 121-129. https://doi.org/10.1016/j.chroma.2017.05.065
Immediate ecotoxicological effects of short-lived oil spills on marine biota
Brussaard, C. P. D., Peperzak, L., Beggah, S., Wick, L. Y., Wuerz, B., Weber, J., … van der Meer, J. R. (2016). Immediate ecotoxicological effects of short-lived oil spills on marine biota. Nature Communications, 7, 11206 (11 pp.). https://doi.org/10.1038/ncomms11206
Simulating gas-liquid-water partitioning and fluid properties of petroleum under pressure: implications for deep-sea blowouts
Gros, J., Reddy, C. M., Nelson, R. K., Socolofsky, S. A., & Arey, J. S. (2016). Simulating gas-liquid-water partitioning and fluid properties of petroleum under pressure: implications for deep-sea blowouts. Environmental Science and Technology, 50(14), 7397-7408. https://doi.org/10.1021/acs.est.5b04617
Impacts of polar changes on the UV-induced mineralization of terrigenous dissolved organic matter
Sulzberger, B., & Arey, J. S. (2016). Impacts of polar changes on the UV-induced mineralization of terrigenous dissolved organic matter. Environmental Science and Technology, 50(13), 6621-6631. https://doi.org/10.1021/acs.est.5b05994
GCxGC quantification of priority and emerging nonpolar halogenated micropollutants in all types of wastewater matrices: analysis methodology, chemical occurrence, and partitioning
Dimitriou-Christidis, P., Bonvin, A., Samanipour, S., Hollender, J., Rutler, R., Westphale, J., … Arey, J. S. (2015). GCxGC quantification of priority and emerging nonpolar halogenated micropollutants in all types of wastewater matrices: analysis methodology, chemical occurrence, and partitioning. Environmental Science and Technology, 49(13), 7914-7925. https://doi.org/10.1021/es5049122
Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributions
Guerard, J. J., Tentscher, P. R., Seijo, M., & Arey, J. S. (2015). Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributions. Physical Chemistry Chemical Physics, 17(22), 14811-14826. https://doi.org/10.1039/c4cp04760e
Development of prediction models for the reactivity of organic compounds with ozone in aqueous solution by quantum chemical calculations: the role of delocalized and localized molecular orbitals
Lee, M., Zimmermann-Steffens, S. G., Arey, J. S., Fenner, K., & von Gunten, U. (2015). Development of prediction models for the reactivity of organic compounds with ozone in aqueous solution by quantum chemical calculations: the role of delocalized and localized molecular orbitals. Environmental Science and Technology, 49(16), 9925-9935. https://doi.org/10.1021/acs.est.5b00902
Analyte quantification with comprehensive two-dimensional gas chromatography: assessment of methods for baseline correction, peak delineation, and matrix effect elimination for real samples
Samanipour, S., Dimitriou-Christidis, P., Gros, J., Grange, A., & Arey, J. S. (2015). Analyte quantification with comprehensive two-dimensional gas chromatography: assessment of methods for baseline correction, peak delineation, and matrix effect elimination for real samples. Journal of Chromatography A, 1375, 123-139. https://doi.org/10.1016/j.chroma.2014.11.049
Exploring the aqueous vertical ionization of organic molecules by molecular simulation and liquid microjet photoelectron spectroscopy
Tentscher, P. R., Seidel, R., Winter, B., Guerard, J. J., & Arey, J. S. (2015). Exploring the aqueous vertical ionization of organic molecules by molecular simulation and liquid microjet photoelectron spectroscopy. Journal of Physical Chemistry B, 119(1), 238-256. https://doi.org/10.1021/jp508053m
Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation
Trogolo, D., & Arey, J. S. (2015). Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation. Physical Chemistry Chemical Physics, 17(5), 3584-3598. https://doi.org/10.1039/c4cp03987d
Molecular mechanism of NDMA formation from <I>N,N</I>-dimethylsulfamide during ozonation: quantum chemical insights into a bromide-catalyzed pathway
Trogolo, D., Mishra, B. K., Heeb, M. B., von Gunten, U., & Arey, J. S. (2015). Molecular mechanism of NDMA formation from N,N-dimethylsulfamide during ozonation: quantum chemical insights into a bromide-catalyzed pathway. Environmental Science and Technology, 49(7), 4163-4175. https://doi.org/10.1021/es504407h
First day of an oil spill on the open sea: early mass transfers of hydrocarbons to air and water
Gros, J., Nabi, D., Würz, B., Wick, L. Y., Brussaard, C. P. D., Huisman, J., … Arey, J. S. (2014). First day of an oil spill on the open sea: early mass transfers of hydrocarbons to air and water. Environmental Science and Technology, 48(16), 9400-9411. https://doi.org/10.1021/es502437e
Resolving biodegradation patterns of persistent saturated hydrocarbons in weathered oil samples from the <I>Deepwater Horizon</I> disaster
Gros, J., Reddy, C. M., Aeppli, C., Nelson, R. K., Carmichael, C. A., & Arey, J. S. (2014). Resolving biodegradation patterns of persistent saturated hydrocarbons in weathered oil samples from the Deepwater Horizon disaster. Environmental Science and Technology, 48(3), 1628-1637. https://doi.org/10.1021/es4042836
Spatial extent and ecotoxicological risk assessment of a micropollutant-contaminated wastewater plume in Lake Geneva
Hoerger, C. C., Akhtman, Y., Martelletti, L., Rutler, R., Bonvin, F., Grange, A., … Kohn, T. (2014). Spatial extent and ecotoxicological risk assessment of a micropollutant-contaminated wastewater plume in Lake Geneva. Aquatic Sciences, 76(Suppl. 1), S7-S19. https://doi.org/10.1007/s00027-013-0315-6