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Mechanistic Insights into NO3• Induced Self-Terminating Radical Oxygenations, Part 1: A Computational Study on NO3• and Its Addition to Alkynes
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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The˙NO3 Radical and Related Nitrogen Oxides, Characterized byAb Initio Calculations of Thermochemical Properties
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Inorganic Radicals in Organic Synthesis
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Stereochemistry of Radical Reactions
inferredcites →https://doi.org/10.1002/jcc.540120113openalex-snapshot
Ab initio characterization of several states of nitroxylium (NO). Comparison of fragmentation energies of nitroxylium, nitroxyl (NO3), and nitrate
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Transannular Cyclizations of Medium‐Sized Cycloalkynes and Cycloalkynones Induced by Electro‐ and Photochemically Generated NO3 Radicals
inferredcites →https://doi.org/10.1002/kin.550190404openalex-snapshot
Kinetics of the gas‐phase reactions of NO3 radicals with a series of alkynes, haloalkenes, and α,β‐unsaturated aldehydes
inferredcites →https://doi.org/10.1016/0009-2614(81)80062-0openalex-snapshot
The stabilizing effect of d orbitals on the central nitrogen atom in nitrogen-oxygen molecules and ions
inferredcites →https://doi.org/10.1016/0009-2614(90)85117-uopenalex-snapshot
Ab initio study of the vibrational spectra of NO3
inferredcites →https://doi.org/10.1016/0009-2614(91)85145-mopenalex-snapshot
Fourier-transform infrared spectroscopy of the NO3 radical
inferredcites →https://doi.org/10.1016/0009-2614(95)00875-5openalex-snapshot
Investigation of a diagnostic for perturbation theory. Comparison to the T1 diagnostic of coupled-cluster theory
inferredcites →https://doi.org/10.1016/0022-2852(92)90466-2openalex-snapshot
High-resolution infrared spectroscopy of NO3 in the 2500-cm−1 region
inferredcites →https://doi.org/10.1016/0891-5849(96)90038-6openalex-snapshot
Free radicals in organic chemistry
inferredcites →https://doi.org/10.1016/s0040-4020(99)00564-5openalex-snapshot
Diastereoselective formation of anellated tetrahydrofurans using a nitrate radical induced oxidative, self-terminating radical cyclization cascade
inferredcites →https://doi.org/10.1016/s0040-4020(99)00663-8openalex-snapshot
Stereoselection in 5-exo radical cyclizations of polysubstituted 2-oxahex-5-enyl radicals: A systematic study of the combination substituent effect
inferredcites →https://doi.org/10.1016/s0166-1280(96)04788-4openalex-snapshot
An MP2 and density functional study of the oxides of nitrogen
inferredcites →https://doi.org/10.1016/s0166-1280(97)00311-4openalex-snapshot
Density functional studies of compounds involved in atmospheric chemistry: nitrogen oxides
inferredcites →https://doi.org/10.1016/s0301-0104(97)00386-8openalex-snapshot
Infrared spectroscopy of the NO3 radical
inferredcites →https://doi.org/10.1021/j100091a013openalex-snapshot
A Discharge Flow-Photoionization Mass Spectrometric Study of the NO3(2A2') Radical: Photoionization Spectrum, Adiabatic Ionization Energy, and Ground State Symmetry
inferredcites →https://doi.org/10.1021/j100112a018openalex-snapshot
Dissociation energy and photochemistry of nitrogen trioxide
inferredcites →https://doi.org/10.1021/j100176a032openalex-snapshot
Ab-initio self-consistent-field study of the vibrational spectra for NO3 geometric isomers. 2. Isotopic shifts of sym-NO3
inferredcites →https://doi.org/10.1021/j100295a015openalex-snapshot
Fourier transform infrared spectroscopy of the nitrate radical .nu.2 and .nu.3 bands: absolute line strength measurements
inferredcites →https://doi.org/10.1021/j100346a012openalex-snapshot
An ab initio characterization of nitrogen trioxide electronic states
inferredcites →https://doi.org/10.1021/j100382a019openalex-snapshot
Ab initio self-consistent field study of the vibrational spectra for nitrate radical geometric isomers
inferredcites →https://doi.org/10.1021/ja00715a019openalex-snapshot
Distortions in the trigonally symmetric radicals nitrogen and carbon trioxide
inferredcites →https://doi.org/10.1021/ja017018+openalex-snapshot
Reaction of Phenyl Radicals with Propyne
inferredcites →https://doi.org/10.1021/ja990506lopenalex-snapshot
Ab Initio Study on the Mechanism of Tropospheric Reactions of the Nitrate Radical with Haloalkenes: Chloroethene
inferredcites →https://doi.org/10.1021/jp0001034openalex-snapshot
Ab Initio Study on the Mechanism of Tropospheric Reactions of the Nitrate Radical with Alkenes: Propene
inferredcites →https://doi.org/10.1021/jp000666fopenalex-snapshot
DFT Theoretical Study on the Reaction Mechanism of the Nitrate Radical with Alkenes: 2-Butene, Isobutene, 2-Methyl-2-butene, and 2,3-Dimethyl-2-butene
inferredcites →https://doi.org/10.1021/jp001046hopenalex-snapshot
Ab Initio Study on the Mechanism of the Reactions of the Nitrate Radical with Haloalkenes: 1,2-Dichloroethene, 1,1-Dichloroethene, Trichloroethene, and Tetrachloroethene
inferredcites →https://doi.org/10.1021/jp011631yopenalex-snapshot
Evidence of A Possible Cycloaddition Channel in the Ethene + NO3 Reaction
inferredcites →https://doi.org/10.1021/jp035042zopenalex-snapshot
What Is the Origin of the Contrathermodynamic Behavior in Methyl Radical Addition to Alkynes versus Alkenes?
inferredcites →https://doi.org/10.1039/f29888400247openalex-snapshot
Reactivity of the nitrate radical towards alkynes and some other molecules
inferredcites →https://doi.org/10.1039/f29888400263openalex-snapshot
Temperature dependences of the reactions of the nitrate radical with some alkynes and with ethylene
inferredcites →https://doi.org/10.1039/ft9918702141openalex-snapshot
Nitrate radical reactions: interactions with alkynes
inferredcites →https://doi.org/10.1039/ft9969203459openalex-snapshot
FTIR studies of the NO3 initiated degradation of but-2-yne: mechanism and rate constant determination
inferredcites →https://doi.org/10.1063/1.1290607openalex-snapshot
A detailed study on the symmetry breaking and its effect on the potential surface of NO3
inferredcites →https://doi.org/10.1063/1.448362openalex-snapshot
Infrared diode laser spectroscopy of the NO3 ν3 band
inferredcites →https://doi.org/10.1063/1.449162openalex-snapshot
Symmetry breaking in molecular calculations and the reliable prediction of equilibrium geometries. The formyloxyl radical as an example
inferredcites →https://doi.org/10.1063/1.453965openalex-snapshot
Vertical electronic spectrum of NO3: 2A′2, 2E″(2A2,2B1), and 2E′ states
inferredcites →https://doi.org/10.1063/1.456769openalex-snapshot
Is there an absence of threefold symmetry at the equilibrium geometry of the ground electronic state for NO3?
inferredcites →https://doi.org/10.1063/1.459121openalex-snapshot
A reinvestigation of the NO3 1492 cm−1 band
inferredcites →https://doi.org/10.1063/1.459947openalex-snapshot
Examination of the 2 A ′2 and 2 E ″ states of NO3 by ultraviolet photoelectron spectroscopy of NO−3
inferredcites →https://doi.org/10.1063/1.461861openalex-snapshot
NO3 radical studied by laser-induced fluorescence
inferredcites →https://doi.org/10.1063/1.464913openalex-snapshot
Density-functional thermochemistry. III. The role of exact exchange
inferredcites →https://doi.org/10.1063/1.466433openalex-snapshot
Density functional study of nitrogen oxides
inferredcites →https://doi.org/10.1063/1.468299openalex-snapshot
A new direct ab initio dynamics method for calculating thermal rate constants from density functional theory
inferredcites →https://doi.org/10.1063/1.473044openalex-snapshot
A study of HeI photoelectron spectroscopy on the electronic structure of the nitrate free radical NO3
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/10.1063/1.481424openalex-snapshot
Some surprising failures of Brueckner coupled cluster theory
inferredcites →https://doi.org/10.1063/1.555887openalex-snapshot
Kinetics and Mechanisms of the Gas-Phase Reactions of the NO3 Radical with Organic Compounds
inferredcites →https://doi.org/10.1071/ch04124openalex-snapshot
NO3● Induced Self-Terminating Radical Oxygenations: Diastereoselective Synthesis of Anellated Pyrrolidines
inferredcites →https://doi.org/10.1093/oso/9780198551669.003.0001openalex-snapshot
Electronic Structure of Solids
inferredcites →https://doi.org/10.1103/physreva.38.3098openalex-snapshot
Density-functional exchange-energy approximation with correct asymptotic behavior
inferredcites →https://doi.org/10.1103/physrevb.33.8822openalex-snapshot
Density-functional approximation for the correlation energy of the inhomogeneous electron gas
inferredcites →https://doi.org/10.1103/physrevb.37.785openalex-snapshot
Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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/physrevb.46.6671openalex-snapshot
Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.48.4978.2openalex-snapshot
Erratum: Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation
inferredcites →https://doi.org/10.1103/physrevb.54.16533openalex-snapshot
Generalized gradient approximation for the exchange-correlation hole of a many-electron system
inferredcites →https://doi.org/10.1139/p80-159openalex-snapshot
Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis
inferredcites →https://doi.org/10.3390/90600480openalex-snapshot
Self-Terminating, Oxidative Radical Cyclizations
inferredcites →https://doi.org/10.3987/com-00-9101openalex-snapshot
Nitrate Radical Induced Oxidative, Self-terminating Radical Cyclization Cascades: Improvement of Yield Using a Photochemical Radical Source
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Intermolecular Radical Additions to Alkynes: Cascade‐Type Radical Cyclizations
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Understanding halogen‐substituent assistance in H‐atom abstraction‐based reactions of CHCl•− with CH4 − nXn (X = H, F, Cl; n = 0–3)
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Theoretical study on the nitrate radical oxidation of methyl vinyl ether
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Unravelling the role of silver in addressing the nitrate radical induced photocatalytic oxidation of olefins to epoxides or carbonyl compounds
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Radical Cascades Initiated by Intermolecular Radical Addition to Alkynes and Related Triple Bond Systems
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Probing Interfacial Effects on Ionization Energies: The Surprising Banality of Anion–Water Hydrogen Bonding at the Air/Water Interface
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N-Centered Radicals in Self-Terminating Radical Cyclizations: Experimental and Computational Studies
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A Computational Study of Multicomponent Orbital Interactions during the Cyclization of Silyl, Germyl, and Stannyl Radicals onto C−N and C−O Multiple Bonds
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Mechanism and Kinetics of the Reaction NO3+ C2H4
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