Mechanistic Insight into the Reactivities of Aqueous-Phase Singlet Oxygen with Organic Compounds

Iron Magnetic Nanoparticle-Induced ROS Generation from Catechol-Containing Microgel for Environmental and Biomedical Applications

(2020) Zhongtian Zhang et al.   ACS Applied Materials & Interfaces

Persulfate-Based Advanced Oxidation: Critical Assessment of Opportunities and Roadblocks

(2020) Jaesang Lee et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Kinetics of Photo-Oxidation of Oxazole and its Substituents by Singlet Oxygen

(2020) Nassim Zeinali et al.   Scientific Reports

Micropollutant Oxidation Studied by Quantum Chemical Computations: Methodology and Applications to Thermodynamics, Kinetics, and Reaction Mechanisms

(2019) Peter R. Tentscher et al.   ACCOUNTS OF CHEMICAL RESEARCH

Photodegradation of Fludioxonil and Other Pyrroles: The Importance of Indirect Photodegradation for Understanding Environmental Fate and Photoproduct Formation

(2019) Jennifer N. Apell et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Elucidating the Elementary Reaction Pathways and Kinetics of Hydroxyl Radical-Induced Acetone Degradation in Aqueous Phase Advanced Oxidation Processes

(2018) Divya Kamath et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Emerging investigators series: ultraviolet and free chlorine aqueous-phase advanced oxidation process: kinetic simulations and experimental validation

(2018) Divya Kamath et al.   Environmental Science-Water Research & Technology

Aqueous-phase photooxygenation of enes, amines, sulfides and polycyclic aromatics by singlet (a1Δg) oxygen: prediction of rate constants using orbital energies, substituent factors and quantitative structure–property relationships

(2017) Tom M. Nolte et al.   Environmental Chemistry

Mechanistic Insight into the Reactivity of Chlorine-Derived Radicals in the Aqueous-Phase UV–Chlorine Advanced Oxidation Process: Quantum Mechanical Calculations

(2017) Daisuke Minakata et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

QSARs for phenols and phenolates: oxidation potential as a predictor of reaction rate constants with photochemically produced oxidants

(2017) William A. Arnold et al.   Environmental Science-Processes & Impacts

Aqueous singlet oxygen reaction kinetics of furfuryl alcohol: effect of temperature, pH, and salt content

(2017) Elena Appiani et al.   Environmental Science-Processes & Impacts

Isoproturon Reappearance after Photosensitized Degradation in the Presence of Triplet Ketones or Fulvic Acids

(2016) Chenyi Yuan et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Solvent-dependent singlet oxygen lifetimes: temperature effects implicate tunneling and charge-transfer interactions

(2016) Mikkel Bregnhøj et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

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

(2015) Daniela Trogolo et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

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

(2015) Paul R. Erickson et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Oxidation Dynamics of Methionine with Singlet Oxygen: Effects of Methionine Ionization and Microsolvation

(2015) Fangwei Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Experimental and theoretical studies on aqueous-phase reactivity of hydroxyl radicals with multiple carboxylated and hydroxylated benzene compounds

(2015) Daisuke Minakata et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Standard electrode potentials involving radicals in aqueous solution: inorganic radicals (IUPAC Technical Report)

(2015) David A. Armstrong et al.   PURE AND APPLIED CHEMISTRY

Development of Linear Free Energy Relationships for Aqueous Phase Radical-Involved Chemical Reactions

(2014) Daisuke Minakata et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Theoretical Study of the Oxidation of Histidine by Singlet Oxygen

(2012) Jefferson Méndez-Hurtado et al.   CHEMISTRY-A EUROPEAN JOURNAL

Photochemical transformation of anionic 2-nitro-4-chlorophenol in surface waters: Laboratory and model assessment of the degradation kinetics, and comparison with field data

(2012) Babita Sur et al.   SCIENCE OF THE TOTAL ENVIRONMENT

Reactivity of Aqueous Phase Hydroxyl Radical with Halogenated Carboxylate Anions: Experimental and Theoretical Studies

(2011) Daisuke Minakata et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Linear Free Energy Relationships between Aqueous phase Hydroxyl Radical Reaction Rate Constants and Free Energy of Activation

(2011) Daisuke Minakata et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Molpro: a general-purpose quantum chemistry program package

(2011) Hans-Joachim Werner et al.   Wiley Interdisciplinary Reviews-Computational Molecular Science

SnapShot: Reactive Oxygen Intermediates (ROI)

(2010) Carl Nathan et al.   CELL

The analysis of enzymic free energy relationships using kinetic and computational models

(2010) Ian R. Greig   CHEMICAL SOCIETY REVIEWS

Reinvestigation of the Reaction of Ethylene and Singlet Oxygen by the Approximate Spin Projection Method. Comparison with Multireference Coupled-Cluster Calculations

(2010) Toru Saito et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Transition state optimization based on approximate spin-projection (AP) method

(2009) T. Saito et al.   CHEMICAL PHYSICS LETTERS

Photochemical and Antimicrobial Properties of Novel C60Derivatives in Aqueous Systems

(2009) Jaesang Lee et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY

Universal Solvation Model Based on Solute Electron Density and on a Continuum Model of the Solvent Defined by the Bulk Dielectric Constant and Atomic Surface Tensions

(2009) Aleksandr V. Marenich et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Fresh Look at Electron-Transfer Mechanisms via the Donor/Acceptor Bindings in the Critical Encounter Complex

(2008) Sergiy V. Rosokha et al.   ACCOUNTS OF CHEMICAL RESEARCH

On the Factors Influencing the Performance of Solar Reactors for Water Disinfection with Photosensitized Singlet Oxygen

(2007) Francisco Manjón et al.   ENVIRONMENTAL SCIENCE & TECHNOLOGY