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Do Hydroxyl Radical−Water Clusters, OH(H2O)n, n = 1−5, Exist in the Atmosphere?

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/cphc.200400405openalex-snapshot

Complexes and Clusters of Water Relevant to Atmospheric Chemistry: H2O Complexes with Oxidants

inferredcites →https://doi.org/10.1002/jcc.540100208openalex-snapshot

Optimization of parameters for semiempirical methods I. Method

inferredcites →https://doi.org/10.1002/qua.10315openalex-snapshot

Density functional complete study of hydrogen bonding between the water molecule and the hydroxyl radical (H2O · HO)

inferredcites →https://doi.org/10.1002/qua.20251openalex-snapshot

The ability of the Gaussian‐2, Gaussian‐3, Complete Basis Set–QB3, and Complete Basis Set–APNO model chemistries to model the geometries of small water clusters

inferredcites →https://doi.org/10.1002/qua.20371openalex-snapshot

Pople's Gaussian‐3 model chemistry applied to an investigation of (H2O)8 water clusters

inferredcites →https://doi.org/10.1016/0022-5193(77)90296-xopenalex-snapshot

Electronic structure of established and potential oxidizing agents in biological systems

inferredcites →https://doi.org/10.1016/j.cplett.2004.11.090openalex-snapshot

Effects of partially quenched orbital angular momentum on the microwave spectrum and magnetic hyperfine splitting in the OH–water complex

inferredcites →https://doi.org/10.1016/s0009-2614(99)00190-6openalex-snapshot

Density functional study of the hydrogen bonding: H2O·HO

inferredcites →https://doi.org/10.1021/ar000097uopenalex-snapshot

Radical−Water Complexes in Earth's Atmosphere

inferredcites →https://doi.org/10.1021/ci0503917openalex-snapshot

Computational Science and Engineering Online (CSE-Online): A Cyber-Infrastructure for Scientific Computing

inferredcites →https://doi.org/10.1021/cr020522sopenalex-snapshot

Measurement of OH and HO 2 in the Troposphere

inferredcites →https://doi.org/10.1021/j100145a003openalex-snapshot

A kinetic study of hydroxyl radical reactions with methane and perdeuterated methane

inferredcites →https://doi.org/10.1021/j100188a021openalex-snapshot

Barrier heights for hydrogen atom transfer reactions: evaluation of ab initio molecular orbital methods for the degenerate exchange hydroxyl radical + water .fwdarw. H2O + .bul.OH

inferredcites →https://doi.org/10.1021/ja003337+openalex-snapshot

Identification of H2O·HO in Argon Matrices

inferredcites →https://doi.org/10.1021/ja034388kopenalex-snapshot

Infrared Measurements and Calculations on H2O·HO

inferredcites →https://doi.org/10.1021/ja038928popenalex-snapshot

Thermodynamics of Forming Water Clusters at Various Temperatures and Pressures by Gaussian-2, Gaussian-3, Complete Basis Set-QB3, and Complete Basis Set-APNO Model Chemistries; Implications for Atmospheric Chemistry

inferredcites →https://doi.org/10.1021/ja0442973openalex-snapshot

Rotational Spectrum and Hydrogen Bonding of the H2O−HO Radical Complex

inferredcites →https://doi.org/10.1021/jp013531yopenalex-snapshot

A Computational Study of the Hydration of the OH Radical

inferredcites →https://doi.org/10.1021/jp047340hopenalex-snapshot

Temperature-Dependent Kinetics of the Gas-Phase Reactions of OH with Cl2, CH4, and C3H8

inferredcites →https://doi.org/10.1021/jp0513317openalex-snapshot

Global Search for Minimum Energy (H 2 O) n Clusters, n = 3−5

inferredcites →https://doi.org/10.1021/jp0514372openalex-snapshot

Comparison of Model Chemistry and Density Functional Theory Thermochemical Predictions with Experiment for Formation of Ionic Clusters of the Ammonium Cation Complexed with Water and Ammonia; Atmospheric Implications

inferredcites →https://doi.org/10.1021/jp054958yopenalex-snapshot

Prediction of Accurate Anharmonic Experimental Vibrational Frequencies for Water Clusters, (H2O)n, n = 2−5

inferredcites →https://doi.org/10.1021/jp057165kopenalex-snapshot

Exploration of the Potential Energy Surfaces, Prediction of Atmospheric Concentrations, and Prediction of Vibrational Spectra for the HO2···(H2O)n (n = 1−2) Hydrogen Bonded Complexes

inferredcites →https://doi.org/10.1021/jp953748qopenalex-snapshot

Current Status of Transition-State Theory

inferredcites →https://doi.org/10.1021/jp963892ropenalex-snapshot

Rate Coefficients for the Reactions of Hydroxyl Radicals with Methane and Deuterated Methanes

inferredcites →https://doi.org/10.1029/2001jd900039openalex-snapshot

Reply [to “Comment on “Global OH trend inferred from methylchloroform measurements” by Maarten Krol et al.”]

inferredcites →https://doi.org/10.1029/2001jd900040openalex-snapshot

Comment on “Global OH trend inferred from methylchloroform measurements” by Maarten Krol et al.

inferredcites →https://doi.org/10.1029/92gl01279openalex-snapshot

Kinetics of the reactions of OH with methyl chloroform and methane: Implications for global tropospheric OH and the methane budget

inferredcites →https://doi.org/10.1029/95jd03858openalex-snapshot

Estimates of the water vapor budget of the stratosphere from UARS HALOE data

inferredcites →https://doi.org/10.1029/98jd00459openalex-snapshot

Global OH trend inferred from methylchloroform measurements

inferredcites →https://doi.org/10.1038/350406a0openalex-snapshot

New measurement of the rate coefficient for the reaction of OH with methane

inferredcites →https://doi.org/10.1063/1.1563608openalex-snapshot

The water–hydroxyl radical complex: A matrix isolation study

inferredcites →https://doi.org/10.1063/1.1605939openalex-snapshot

The hydration of the OH radical: Microsolvation modeling and statistical mechanics simulation

inferredcites →https://doi.org/10.1063/1.1687335openalex-snapshot

High-level ab initio studies of the electronic excited states of the hydroxyl radical and water–hydroxyl complex

inferredcites →https://doi.org/10.1063/1.1811611openalex-snapshot

Comparison of CBS-QB3, CBS-APNO, G2, and G3 thermochemical predictions with experiment for formation of ionic clusters of hydronium and hydroxide ions complexed with water

inferredcites →https://doi.org/10.1063/1.2200701openalex-snapshot

The OH radical-H2O molecular interaction potential

inferredcites →https://doi.org/10.1063/1.459103openalex-snapshot

Ab initio transition state theory calculations of the reaction rate for OH+CH4→H2O+CH3

inferredcites →https://doi.org/10.1063/1.464492openalex-snapshot

Hydrogen bonding between the water molecule and the hydroxyl radical (H2O⋅HO): The global minimum

inferredcites →https://doi.org/10.1063/1.465401openalex-snapshot

Interpolated variational transition state theory and tunneling calculations of the rate constant of the reaction OH+CH4 at 223–2400 K

inferredcites →https://doi.org/10.1063/1.477422openalex-snapshot

Gaussian-3 (G3) theory for molecules containing first and second-row atoms

inferredcites →https://doi.org/10.1063/1.478676openalex-snapshot

Gaussian-3 theory using density functional geometries and zero-point energies

inferredcites →https://doi.org/10.1063/1.882420openalex-snapshot

Atmospheric Chemistry and Physics: From Air Pollution to Climate Change

inferredcites →https://doi.org/10.1073/pnas.0502687102openalex-snapshot

The importance of weak absorption features in promoting tropospheric radical production

inferredcites →https://doi.org/10.1126/science.1058673openalex-snapshot

Evidence for Substantial Variations of Atmospheric Hydroxyl Radicals in the Past Two Decades

inferredcites →https://doi.org/10.1146/annurev.physchem.57.032905.104516openalex-snapshot

ATMOSPHERIC FIELD MEASUREMENTS OF THE HYDROXYL RADICAL USING LASER-INDUCED FLUORESCENCE SPECTROSCOPY

inferredcites →https://doi.org/10.5194/acp-3-2233-2003openalex-snapshot

Kinetics of the gas-phase reactions of OH radicals with alkanes and cycloalkanes

inferredcites →https://doi.org/10.5194/acp-6-1435-2006openalex-snapshot

Concentrations of OH and HO 2 radicals during NAMBLEX: measurements and steady state analysis

inferredcites →https://doi.org/10.5860/choice.35-5721openalex-snapshot

Atmospheric chemistry and physics: from air pollution to climate change

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Altitude profile of the OH radical complex with water in Earth’s atmosphere: a quantum mechanical approach

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Can water be a catalyst on the HO2+H2O+O3 reactive cluster?

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Effect of water and ammonia on the HO + NH3 → NH2 + H2O reaction in troposphere: Competition between single and double hydrogen atom transfer pathways

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Theoretical studies on CH4 combustion in O2/H2O atmosphere

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Systematic testing of Gaussian and complete basis set methods with dispersion corrections for environmentally relevant clusters

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Solvation processes in steam: Ab initio calculations of ion–solvent structures and clustering equilibria

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Microwave spectrum of the OD–OH2 complex: A strong deuterium isotope effect on angular momentum quenching in the hydroxyl moiety

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Molecular structures and thermodynamic properties of monohydrated gaseous iodine compounds: Modelling for severe accident simulation

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A new insight into the interaction of hydroxyl radical with supercooled nanodroplet in the atmosphere

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Hydrolysis of Sulfur Dioxide in Small Clusters of Sulfuric Acid: Mechanistic and Kinetic Study

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Calculating Reliable Gibbs Free Energies for Formation of Gas-Phase Clusters that Are Critical for Atmospheric Chemistry: (H2SO4)3

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Double-Layered Composite Methods Extrapolating to Complete Basis-Set Limit for the Systems Involving More than Ten Heavy Atoms: Application to the Reaction of Heptafluoroisobutyronitrile with Hydroxyl Radical

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Relaxation of the H2O Overtone Bending Vibration in the Water Dimer···Hydroxyl Radical Complex

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Rate Coefficient and Mechanism of the OH-Initiated Degradation of 1-Chlorobutane: Atmospheric Implications

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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

inferred← citeshttps://doi.org/10.3791/60964-vopenalex-snapshot

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

inferred← citeshttps://doi.org/10.5194/acp-20-3091-2020openalex-snapshot

Kinetics of the OH + NO 2 reaction: effect of water vapour and new parameterization for global modelling

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