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The OH radical-H2O molecular interaction potential
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Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1007/978-94-015-7658-1_21openalex-snapshot
Interaction Models for Water in Relation to Protein Hydration
inferredcites →https://doi.org/10.1016/0009-2614(88)87412-8openalex-snapshot
An efficient method for the evaluation of coupling coefficients in configuration interaction calculations
inferredcites →https://doi.org/10.1016/0301-0104(94)00322-xopenalex-snapshot
Adiabatic approximation and non-adiabatic effects for open-shell atoms in an inert solvent: F atoms in solid Kr
inferredcites →https://doi.org/10.1016/j.cplett.2004.09.056openalex-snapshot
Ab initio molecular dynamics simulation of the OH radical in liquid water
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(00)00066-xopenalex-snapshot
Local perturbative triples correction (T) with linear cost scaling
inferredcites →https://doi.org/10.1016/s0009-2614(98)00065-7openalex-snapshot
Global minima of water clusters (H2O) , n≤21, described by an empirical potential
inferredcites →https://doi.org/10.1021/cr030453xopenalex-snapshot
Role of Water in Electron-Initiated Processes and Radical Chemistry: Issues and Scientific Advances
inferredcites →https://doi.org/10.1021/j100016a067openalex-snapshot
Structure and Properties of Neat Liquids Using Nonadditive Molecular Dynamics: Water, Methanol, and N-Methylacetamide
inferredcites →https://doi.org/10.1021/ja00181a017openalex-snapshot
Implementation of nonadditive intermolecular potentials by use of molecular dynamics: development of a water-water potential and water-ion cluster interactions
inferredcites →https://doi.org/10.1021/ja034388kopenalex-snapshot
Infrared Measurements and Calculations on H2O·HO
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/ja045552mopenalex-snapshot
Hydroxyl Radical at the Air−Water Interface
inferredcites →https://doi.org/10.1021/jp013531yopenalex-snapshot
A Computational Study of the Hydration of the OH Radical
inferredcites →https://doi.org/10.1021/jp030592iopenalex-snapshot
Impact, Trapping, and Accommodation of Hydroxyl Radical and Ozone at Aqueous Salt Aerosol Surfaces. A Molecular Dynamics Study
inferredcites →https://doi.org/10.1021/jp0363592openalex-snapshot
On the Mechanisms of OH Radical Induced DNA-Base Damage: A Comparative Quantum Chemical and Car−Parrinello Molecular Dynamics Study
inferredcites →https://doi.org/10.1021/jp0461807openalex-snapshot
Solvation Structure of Hydroxyl Radical by Car−Parrinello Molecular Dynamics
inferredcites →https://doi.org/10.1021/jp046268kopenalex-snapshot
Adsorption of Atmospherically Relevant Gases at the Air/Water Interface: Free Energy Profiles of Aqueous Solvation of N 2 , O 2 , O 3 , OH, H 2 O, HO 2 , and H 2 O 2
inferredcites →https://doi.org/10.1021/jp046308kopenalex-snapshot
Spectroscopic Implications of Partially Quenched Orbital Angular Momentum in the OH−Water Complex
inferredcites →https://doi.org/10.1021/jp051361+openalex-snapshot
Molecular Dynamics Simulations of Atmospheric Oxidants at the Air−Water Interface: Solvation and Accommodation of OH and O3
inferredcites →https://doi.org/10.1021/jp980531yopenalex-snapshot
Insight into Chemical Reactions from First-Principles Simulations: The Mechanism of the Gas-Phase Reaction of OH Radicals with Ketones
inferredcites →https://doi.org/10.1029/97gl02983openalex-snapshot
New insights on OH: Measurements around and in clouds
inferredcites →https://doi.org/10.1039/b501603gopenalex-snapshot
A molecular dynamics study of the hydroxyl radical in solution applying self-interaction-corrected density functional methods
inferredcites →https://doi.org/10.1063/1.1323265openalex-snapshot
Low-order scaling local electron correlation methods. III. Linear scaling local perturbative triples correction (T)
inferredcites →https://doi.org/10.1063/1.1329346openalex-snapshot
Diffusion constant of the TIP5P model of liquid water
inferredcites →https://doi.org/10.1063/1.1330207openalex-snapshot
Low-order scaling local electron correlation methods. IV. Linear scaling local coupled-cluster (LCCSD)
inferredcites →https://doi.org/10.1063/1.1423940openalex-snapshot
Development of transferable interaction models for water. I. Prominent features of the water dimer potential energy surface
inferredcites →https://doi.org/10.1063/1.1423941openalex-snapshot
Development of transferable interaction models for water. II. Accurate energetics of the first few water clusters from first principles
inferredcites →https://doi.org/10.1063/1.1423942openalex-snapshot
Development of transferable interaction models for water. III. Reparametrization of an all-atom polarizable rigid model (TTM2–R) from first principles
inferredcites →https://doi.org/10.1063/1.1476316openalex-snapshot
Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L
inferredcites →https://doi.org/10.1063/1.1523915openalex-snapshot
Development of a simple, self-consistent polarizable model for liquid water
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/10.1063/1.1626624openalex-snapshot
The binding energies of the D2d and S4 water octamer isomers: High-level electronic structure and empirical potential results
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/10.1063/1.1749327openalex-snapshot
A Theory of Water and Ionic Solution, with Particular Reference to Hydrogen and Hydroxyl Ions
inferredcites →https://doi.org/10.1063/1.1805516openalex-snapshot
Charge-on-spring polarizable water models revisited: From water clusters to liquid water to ice
inferredcites →https://doi.org/10.1063/1.1864892openalex-snapshot
High-level ab initio calculations for the four low-lying families of minima of(H2O)20. II. Spectroscopic signatures of the dodecahedron, fused cubes, face-sharing pentagonal prisms, and edge-sharing pentagonal prisms hydrogen bonding networks
inferredcites →https://doi.org/10.1063/1.445869openalex-snapshot
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1063/1.446118openalex-snapshot
Use of dimer potentials to calculate the energy levels of alkali atoms in rare-gas matrices
inferredcites →https://doi.org/10.1063/1.448627openalex-snapshot
A second order multiconfiguration SCF procedure with optimum convergence
inferredcites →https://doi.org/10.1063/1.455556openalex-snapshot
An efficient internally contracted multiconfiguration–reference configuration interaction method
inferredcites →https://doi.org/10.1063/1.459927openalex-snapshot
Hydrogen bonding between the water molecule and the hydroxyl radical (H2O⋅OH): The 2A″ and 2A′ minima
inferredcites →https://doi.org/10.1063/1.462569openalex-snapshot
Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions
inferredcites →https://doi.org/10.1063/1.464326openalex-snapshot
A theoretical study of the HgAr2(3P1←1S) vibronic spectrum
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/10.1063/1.465900openalex-snapshot
Adiabatic and approximate diabatic potential energy surfaces for the B...H2 van der Waals molecule
inferredcites →https://doi.org/10.1063/1.467532openalex-snapshot
Monte Carlo simulations of the structures and optical absorption spectra of Na atoms in Ar clusters, surfaces, and solids
inferredcites →https://doi.org/10.1063/1.467761openalex-snapshot
Many-body potentials of an open shell atom: Spectroscopy of spin–orbit transitions of iodine in crystalline Xe and Kr
inferredcites →https://doi.org/10.1063/1.470213openalex-snapshot
Theoretical investigation of weakly-bound complexes of B with H2
inferredcites →https://doi.org/10.1063/1.470631openalex-snapshot
Orbital alignment during cage-exit of open-shell photofragments: F in solid Ar and Kr
inferredcites →https://doi.org/10.1063/1.471081openalex-snapshot
Theoretical calculations of zero-temperature absorption spectra of Li in solid H2
inferredcites →https://doi.org/10.1063/1.471289openalex-snapshot
Local treatment of electron correlation in coupled cluster theory
inferredcites →https://doi.org/10.1063/1.473621openalex-snapshot
A collaborative theoretical and experimental study of the structure and electronic excitation spectrum of the Bar and Bar2 complexes
inferredcites →https://doi.org/10.1063/1.475428openalex-snapshot
Exchange functionals with improved long-range behavior and adiabatic connection methods without adjustable parameters: The mPW and mPW1PW models
inferredcites →https://doi.org/10.1063/1.478797openalex-snapshot
The parametrization of a Thole-type all-atom polarizable water model from first principles and its application to the study of water clusters ( n =2–21) and the phonon spectrum of ice Ih
inferredcites →https://doi.org/10.1063/1.478834openalex-snapshot
Structures and energetics of the water heptamer: Comparison with the water hexamer and octamer
inferredcites →https://doi.org/10.1063/1.481613openalex-snapshot
Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer
inferredcites →https://doi.org/10.1103/physreva.71.013204openalex-snapshot
Hydrogen bonding in cubic (H2O)8 and OH∙(H2O)7 clusters
inferredcites →https://doi.org/10.1103/physrevb.45.13244openalex-snapshot
Accurate and simple analytic representation of the electron-gas correlation energy
inferredcites →https://doi.org/10.1103/physrevlett.55.2471openalex-snapshot
Unified Approach for Molecular Dynamics and Density-Functional Theory
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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inferred← citeshttps://doi.org/10.1007/s10874-016-9353-5openalex-snapshot
Altitude profile of the OH radical complex with water in Earth’s atmosphere: a quantum mechanical approach
inferred← citeshttps://doi.org/10.1007/s11090-012-9365-0openalex-snapshot
Thermophysical Properties of High Temperature Reacting Mixtures of Carbon and Water in the Range 400–30,000 K and 0.1–10 atm. Part 2: Transport Coefficients
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Electron–electron correlation energy calculations by superposition of nonorthogonal Slater determinants
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Coupling plasmon and catalytic-active hotspots of Au@Pt core-satellite nanoparticles for in-situ spectroscopic observation of plasmon-promoted decarboxylation
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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
inferred← citeshttps://doi.org/10.1016/j.molliq.2021.117597openalex-snapshot
Investigation of OH radical in the water nanodroplet during vapor freezing process: An ab initio molecular dynamics study
inferred← citeshttps://doi.org/10.1016/j.radphyschem.2008.09.005openalex-snapshot
Comment on the possible role of the reaction H+H2O→H2+OH in the radiolysis of water at high temperatures
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b03704openalex-snapshot
Effects of Water Molecule on CO Oxidation by OH: Reaction Pathways, Kinetic Barriers, and Rate Constants
inferred← citeshttps://doi.org/10.1021/acs.jpca.7b05380openalex-snapshot
Oxygen-18 Isotopic Studies of HOOO and DOOO
inferred← citeshttps://doi.org/10.1021/acs.jpca.8b03674openalex-snapshot
Relaxation of the H2O Overtone Bending Vibration in the Water Dimer···Hydroxyl Radical Complex
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b07691openalex-snapshot
Role of (H2O)n (n = 2–3) Clusters on the HO2 + O3 Reaction: A Theoretical Study
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6c00108openalex-snapshot
Predicting Absorption and Diffusion of Plasma-Generated O( 3 P), O( 1 D), and Other RONS in Aqueous Environments Using Molecular Simulations
inferred← citeshttps://doi.org/10.1021/ct200418eopenalex-snapshot
Insights into the Solvation and Mobility of the Hydroxyl Radical in Aqueous Solution
inferred← citeshttps://doi.org/10.1021/ct4008124openalex-snapshot
Accurate Open-Shell Noncovalent Interaction Energies from the Orbital-Optimized Møller–Plesset Perturbation Theory: Achieving CCSD Quality at the MP2 Level by Orbital Optimization
inferred← citeshttps://doi.org/10.1021/ja208874topenalex-snapshot
Mobility Mechanism of Hydroxyl Radicals in Aqueous Solution via Hydrogen Transfer
inferred← citeshttps://doi.org/10.1021/ja9033186openalex-snapshot
Interaction of ClO Radical with Liquid Water
inferred← citeshttps://doi.org/10.1021/jp064468lopenalex-snapshot
Do Hydroxyl Radical−Water Clusters, OH(H2O)n, n = 1−5, Exist in the Atmosphere?
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Signature OH Absorption Spectrum from Cluster Models of Solvation: A Solvent-to-Solute Charge Transfer State
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Hemibonding between Hydroxyl Radical and Water
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Effects of a Single Water Molecule on the OH + H2O2 Reaction
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Water Effect on the OH + HCl Reaction
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Strong-Field Ionization and Coulomb Explosion of Chlorine Weakly Bound to Small Water Clusters
inferred← citeshttps://doi.org/10.1021/jp710509hopenalex-snapshot
Interaction between OH Radical and the Water Interface
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Absorption Spectrum of OH Radical in Water
inferred← citeshttps://doi.org/10.1039/c0cp02735aopenalex-snapshot
Molecular dynamics study of the hydration of the hydroxyl radical at body temperature
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Hydroxyl radicals in ice: insights into local structure and dynamics
inferred← citeshttps://doi.org/10.1039/c7cp02656kopenalex-snapshot
Quasi-classical trajectory studies on the full-dimensional accurate potential energy surface for the OH + H 2 O = H 2 O + OH reaction
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Tracking the energy flow in the hydrogen exchange reaction OH + H 2 O → H 2 O + OH
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The water trimer reaction OH + (H 2 O) 3 → (H 2 O) 2 OH + H 2 O
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Probing radical–molecule interactions with a second generation energy decomposition analysis of DFT calculations using absolutely localized molecular orbitals
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Franck–Condon simulations of transition-state spectra for the OH + H 2 O and OD + D 2 O reactions
inferred← citeshttps://doi.org/10.1063/1.2388260openalex-snapshot
The lowest A′2 excited state of the water-hydroxyl complex
inferred← citeshttps://doi.org/10.1063/1.2566537openalex-snapshot
Ab initio and analytical intermolecular potential for ClO–H2O
inferred← citeshttps://doi.org/10.1063/1.2755765openalex-snapshot
Reaction pathways and excited states in H2O2+OH→HO2+H2O: A new ab initio investigation
inferred← citeshttps://doi.org/10.1063/1.2828522openalex-snapshot
Many-body decomposition of the binding energies for OH⋅(H2O)2 and OH⋅(H2O)3 complexes
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The H2O2+OH→HO2+H2O reaction in aqueous solution from a charge-dependent continuum model of solvation
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