List of works - J. Samuel Arey

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

scientific article published in January 2005

Accurate DFT Descriptions for Weak Interactions of Molecules Containing Sulfur

scientific article published in January 2009

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

scientific article published on July 4, 2013

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

scientific article published on 2 January 2015

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

scientific article published on 22 February 2013

Composition and fate of gas and oil released to the water column during the Deepwater Horizon oil spill.

scientific article

Controlling factors in the rates of oxidation of anilines and phenols by triplet methylene blue in aqueous solution

scientific article published on 19 March 2015

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

scientific article published on 17 October 2013

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

scientific article published on 01 April 2008

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

scientific article published on 7 August 2015

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

article

Disentangling oil weathering using GC x GC. 2. Mass transfer calculations.

scientific article published in August 2007

Equilibria and Speciation of Chloramines, Bromamines, and Bromochloramines in Water.

scientific article published on 16 December 2016

Estimating partition coefficients for fuel-water systems: developing linear solvation energy relationships using linear solvent strength theory to handle mixtures.

scientific article

Exploring the aqueous vertical ionization of organic molecules by molecular simulation and liquid microjet photoelectron spectroscopy

scientific article published on 17 December 2014

First day of an oil spill on the open sea: early mass transfers of hydrocarbons to air and water

scientific article published on 8 August 2014

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

scientific article

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

article

Hydrogen Bonding Described Using Dispersion-Corrected Density Functional Theory

scientific article published on 01 April 2009

Immobilization of Uranium in Contaminated Sediments by Hydroxyapatite Addition

scientific article published in January 1999

Impacts of Polar Changes on the UV-induced Mineralization of Terrigenous Dissolved Organic Matter

scientific article

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

scientific article published on 05 June 2014

Molecular mechanism of NDMA formation from N,N-dimethylsulfamide during ozonation: quantum chemical insights into a bromide-catalyzed pathway.

scientific article

On the nature of interactions of radicals with polar molecules.

scientific article

Predicting Partitioning and Diffusion Properties of Nonpolar Chemicals in Biotic Media and Passive Sampler Phases by GC × GC.

scientific article published on 14 February 2017

Prediction of aqueous free energies of solvation using coupled QM and MM explicit solvent simulations

scientific article published on 02 April 2020

Reactivity of BrCl, Br2, BrOCl, Br2O, and HOBr Toward Dimethenamid in Solutions of Bromide + Aqueous Free Chlorine

scientific article published on 16 January 2013

Resolving biodegradation patterns of persistent saturated hydrocarbons in weathered oil samples from the Deepwater Horizon disaster

scientific article published on 22 January 2014

Robust algorithm for aligning two-dimensional chromatograms.

scientific article published on 19 October 2012

Role of Environment for Catalysis of the DNA Repair Enzyme MutY ⬇️

scientific article published on May 11, 2012

Simulating Gas-Liquid-Water Partitioning and Fluid Properties of Petroleum under Pressure: Implications for Deep-Sea Blowouts.

scientific article

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

article

Stacking and spreading interaction in N-heteroaromatic systems.

scientific article published in September 2010

Using comprehensive two-dimensional gas chromatography retention indices to estimate environmental partitioning properties for a complete set of diesel fuel hydrocarbons.

scientific article

List of works by J. Samuel Arey

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

Accurate DFT Descriptions for Weak Interactions of Molecules Containing Sulfur

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

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

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

Composition and fate of gas and oil released to the water column during the Deepwater Horizon oil spill.

Controlling factors in the rates of oxidation of anilines and phenols by triplet methylene blue in aqueous solution

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

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

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

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

Disentangling oil weathering using GC x GC. 2. Mass transfer calculations.

Equilibria and Speciation of Chloramines, Bromamines, and Bromochloramines in Water.

Estimating partition coefficients for fuel-water systems: developing linear solvation energy relationships using linear solvent strength theory to handle mixtures.

Exploring the aqueous vertical ionization of organic molecules by molecular simulation and liquid microjet photoelectron spectroscopy

First day of an oil spill on the open sea: early mass transfers of hydrocarbons to air and water

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

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

Hydrogen Bonding Described Using Dispersion-Corrected Density Functional Theory

Immobilization of Uranium in Contaminated Sediments by Hydroxyapatite Addition

Impacts of Polar Changes on the UV-induced Mineralization of Terrigenous Dissolved Organic Matter

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

Molecular mechanism of NDMA formation from N,N-dimethylsulfamide during ozonation: quantum chemical insights into a bromide-catalyzed pathway.

On the nature of interactions of radicals with polar molecules.

Predicting Partitioning and Diffusion Properties of Nonpolar Chemicals in Biotic Media and Passive Sampler Phases by GC × GC.

Prediction of aqueous free energies of solvation using coupled QM and MM explicit solvent simulations

Reactivity of BrCl, Br2, BrOCl, Br2O, and HOBr Toward Dimethenamid in Solutions of Bromide + Aqueous Free Chlorine

Resolving biodegradation patterns of persistent saturated hydrocarbons in weathered oil samples from the Deepwater Horizon disaster

Robust algorithm for aligning two-dimensional chromatograms.

Role of Environment for Catalysis of the DNA Repair Enzyme MutY ⬇️

Simulating Gas-Liquid-Water Partitioning and Fluid Properties of Petroleum under Pressure: Implications for Deep-Sea Blowouts.

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

Stacking and spreading interaction in N-heteroaromatic systems.

Using comprehensive two-dimensional gas chromatography retention indices to estimate environmental partitioning properties for a complete set of diesel fuel hydrocarbons.