All Stories

  1. Combined Petroleum System Modeling and Comprehensive Two-Dimensional Gas Chromatography To Improve Understanding of the Crude Oil Chemistry in the Llanos Basin, Colombia

    Article • Energy & Fuels, August 2015, American Chemical Society (ACS)

    Dr J Samuel Arey

  2. GC×GC Quantification of Priority and Emerging Nonpolar Halogenated Micropollutants in All Types of Wastewater Matrices: Analysis Methodology, Chemical Occurrence, and Partitioning

    Article • Environmental Science & Technology, July 2015, American Chemical Society (ACS)

    Dr J Samuel Arey

  3. Molecular Mechanism of NDMA Formation fromN,N-Dimethylsulfamide During Ozonation: Quantum Chemical Insights into a Bromide-Catalyzed Pathway

    Article • Environmental Science & Technology, April 2015, American Chemical Society (ACS)

    Dr J Samuel Arey

  4. Controlling Factors in the Rates of Oxidation of Anilines and Phenols by Triplet Methylene Blue in Aqueous Solution

    Article • The Journal of Physical Chemistry A, April 2015, American Chemical Society (ACS)

    Dr J Samuel Arey

  5. Exploring the Aqueous Vertical Ionization of Organic Molecules by Molecular Simulation and Liquid Microjet Photoelectron Spectroscopy

    Article • The Journal of Physical Chemistry, January 2015, American Chemical Society (ACS)

    Dr J Samuel Arey

  6. Benchmark thermochemistry of chloramines, bromamines, and bromochloramines: halogen oxidants stabilized by electron correlation

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr J Samuel Arey

  7. Explicit solvent simulations of the aqueous oxidation potential and reorganization energy for neutral molecules: gas phase, linear solvent response, and non-linear response contributions

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    Dr J Samuel Arey

  8. Analyte quantification with comprehensive two-dimensional gas chromatography: Assessment of methods for baseline correction, peak delineation, and matrix effect elimination for real samples

    Article • Journal of Chromatography A, January 2015, Elsevier

    Dr J Samuel Arey

  9. First Day of an Oil Spill on the Open Sea: Early Mass Transfers of Hydrocarbons to Air and Water

    Article • Environmental Science & Technology, August 2014, American Chemical Society (ACS)

    Dr J Samuel Arey

  10. Mapping Environmental Partitioning Properties of Nonpolar Complex Mixtures by Use of GC × GC

    Article • Environmental Science & Technology, June 2014, American Chemical Society (ACS)

    Dr J Samuel Arey

  11. Into the abyss of Lake Geneva: the elemo interdisciplinary field investigation using the MIR submersibles

    Article • Aquatic Sciences, May 2014, Springer Science + Business Media

    Dr J Samuel Arey

  12. Resolving Biodegradation Patterns of Persistent Saturated Hydrocarbons in Weathered Oil Samples from the Deepwater Horizon Disaster

    Article • Environmental Science & Technology, February 2014, American Chemical Society (ACS)

    Dr J Samuel Arey

  13. On the Nature of Interactions of Radicals with Polar Molecules

    Article • The Journal of Physical Chemistry A, November 2013, American Chemical Society (ACS)

    Dr J Samuel Arey

  14. Critical Evaluation of Implicit Solvent Models for Predicting Aqueous Oxidation Potentials of Neutral Organic Compounds

    Article • Journal of Chemical Theory and Computation, November 2013, American Chemical Society (ACS)

    Dr J Samuel Arey

  15. Spatial extent and ecotoxicological risk assessment of a micropollutant-contaminated wastewater plume in Lake Geneva

    Article • Aquatic Sciences, October 2013, Springer Science + Business Media

    Tamar Kohn, Dr J Samuel Arey

  16. Correction to Reactivity of BrCl, Br 2 , BrOCl, Br 2 O and HOBr Toward Dimethenamid in Solutions of Bromide + Aqueous Free Chlorine

    Article • Environmental Science & Technology, July 2013, American Chemical Society (ACS)

    Dr J Samuel Arey

  17. Aqueous Oxidation of Sulfonamide Antibiotics: Aromatic Nucleophilic Substitution of an Aniline Radical Cation

    Article • Chemistry - A European Journal, July 2013, Wiley

    Dr J Samuel Arey

  18. Binding in Radical-Solvent Binary Complexes: Benchmark Energies and Performance of Approximate Methods

    Article • Journal of Chemical Theory and Computation, March 2013, American Chemical Society (ACS)

    Dr J Samuel Arey

  19. Reactivity of BrCl, Br 2 , BrOCl, Br 2 O, and HOBr Toward Dimethenamid in Solutions of Bromide + Aqueous Free Chlorine

    Article • Environmental Science & Technology, February 2013, American Chemical Society (ACS)

    Dr J Samuel Arey

  20. Robust Algorithm for Aligning Two-Dimensional Chromatograms

    Article • Analytical Chemistry, November 2012, American Chemical Society (ACS)

    Dr J Samuel Arey

  21. Kinetic experiments of electrochemical oxidation of iohexol on BDD electrodes for wastewater treatment

    Article • Electrochemistry Communications, September 2012, Elsevier

    Dr J Samuel Arey

  22. Geometries and Vibrational Frequencies of Small Radicals: Performance of Coupled Cluster and More Approximate Methods

    Article • Journal of Chemical Theory and Computation, June 2012, American Chemical Society (ACS)

    Dr J Samuel Arey

  23. Role of Environment for Catalysis of the DNA Repair Enzyme MutY

    Article • Journal of the American Chemical Society, May 2012, American Chemical Society (ACS)

    Dr J Samuel Arey

  24. Floating oil-covered debris from Deepwater Horizon : identification and application

    Article • Environmental Research Letters, January 2012, Institute of Physics Publishing

    Dr J Samuel Arey

  25. Development of bioreporter assays for the detection of bioavailability of long-chain alkanes based on the marine bacterium Alcanivorax borkumensis strain SK2

    Article • Environmental Microbiology, September 2011, Wiley

    Dr J Samuel Arey

  26. Stacking and Spreading Interaction in N-Heteroaromatic Systems†

    Article • The Journal of Physical Chemistry A, September 2010, American Chemical Society (ACS)

    Dr J Samuel Arey

  27. Hybrid QM/MM Simulations of Enzyme-Catalyzed DNA Repair Reactions

    Article • June 2010, Wiley

    Dr J Samuel Arey

  28. Molecular and Isotopic Analysis of Motor Oil from a Biodiesel-Driven Vehicle

    Article • Energy & Fuels, February 2010, American Chemical Society (ACS)

    Dr J Samuel Arey

  29. Hydrogen Bonding Described Using Dispersion-Corrected Density Functional Theory

    Article • The Journal of Physical Chemistry, April 2009, American Chemical Society (ACS)

    Dr J Samuel Arey

  30. Accurate DFT Descriptions for Weak Interactions of Molecules Containing Sulfur

    Article • Journal of Chemical Theory and Computation, January 2009, American Chemical Society (ACS)

    Dr J Samuel Arey

  31. Disentangling Oil Weathering at a Marine Seep Using GC×GC: Broad Metabolic Specificity Accompanies Subsurface Petroleum Biodegradation

    Article • Environmental Science & Technology, October 2008, American Chemical Society (ACS)

    Dr J Samuel Arey

  32. Determination of Biodiesel Blending Percentages Using Natural Abundance Radiocarbon Analysis: Testing the Accuracy of Retail Biodiesel Blends

    Article • Environmental Science & Technology, April 2008, American Chemical Society (ACS)

    Dr J Samuel Arey

  33. Disentangling Oil Weathering Using GC×GC. 2. Mass Transfer Calculations

    Article • Environmental Science & Technology, August 2007, American Chemical Society (ACS)

    Dr J Samuel Arey

  34. Disentangling Oil Weathering Using GC×GC. 1. Chromatogram Analysis

    Article • Environmental Science & Technology, August 2007, American Chemical Society (ACS)

    Dr J Samuel Arey

  35. Biodegradation and environmental behavior of biodiesel mixtures in the sea: An initial study

    Article • Marine Pollution Bulletin, July 2007, Elsevier

    Dr J Samuel Arey

  36. Using Comprehensive Two-Dimensional Gas Chromatography Retention Indices To Estimate Environmental Partitioning Properties for a Complete Set of Diesel Fuel Hydrocarbons, Correction

    Article • Analytical Chemistry, June 2007, American Chemical Society (ACS)

    Dr J Samuel Arey

  37. METHYL-TERT-HEXYL ETHER AND METHYL-TERT-OCTYL ETHER AS GASOLINE OXYGENATES: ANTICIPATING WIDESPREAD RISKS TO COMMUNITY WATER SUPPLY WELLS

    Article • Environmental Toxicology and Chemistry, January 2007, Wiley

    Dr J Samuel Arey

  38. Methyl Tertiary Hexyl Ether and Methyl Tertiary Octyl Ether as Gasoline Oxygenates: Assessing Risks from Atmospheric Dispersion and Deposition

    Article • Journal of the Air & Waste Management Association, October 2006, Taylor & Francis

    Dr J Samuel Arey

  39. Using Comprehensive Two-Dimensional Gas Chromatography Retention Indices To Estimate Environmental Partitioning Properties for a Complete Set of Diesel Fuel Hydrocarbons

    Article • Analytical Chemistry, November 2005, American Chemical Society (ACS)

    Dr J Samuel Arey

  40. The Electrostatic Origin of Abraham's Solute Polarity Parameter

    Article • The Journal of Physical Chemistry, April 2005, American Chemical Society (ACS)

    Dr J Samuel Arey

  41. Estimating Partition Coefficients for Fuel−Water Systems: Developing Linear Solvation Energy Relationships Using Linear Solvent Strength Theory To Handle Mixtures

    Article • Environmental Science & Technology, April 2005, American Chemical Society (ACS)

    Dr J Samuel Arey

  42. A physical–chemical screening model for anticipating widespread contamination of community water supply wells by gasoline constituents

    Article • Journal of Contaminant Hydrology, January 2005, Elsevier

    Dr J Samuel Arey

  43. Emission and Fate Assessment of Methyl Tertiary Butyl Ether in the Boston Area Airshed Using a Simple Multimedia Box Model: Comparison with Urban Air Measurements

    Article • Journal of the Air & Waste Management Association, December 2003, Taylor & Francis

    Dr J Samuel Arey

  44. Immobilization of Uranium in Contaminated Sediments by Hydroxyapatite Addition

    Article • Environmental Science & Technology, December 1998, American Chemical Society (ACS)

    Dr J Samuel Arey