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Ab Initio Study on the Mechanism of Tropospheric Reactions of the Nitrate Radical with Alkenes: Ethene

https://doi.org/10.1021/jo980779j
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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/bbpc.19920960617openalex-snapshot
Oxirane Formation in the Reaction of NO3 Radicals with Alkenes
inferredcites →https://doi.org/10.1002/bbpc.19930971105openalex-snapshot
On the Identification of Oxiranes Formed in the Reactions of NO3 Radicals with Alkenes
inferredcites →https://doi.org/10.1002/bbpc.19940980617openalex-snapshot
Kinetics of oxirane formation in the reaction of nitrate radicals with tetramethylethylene
inferredcites →https://doi.org/10.1002/jcc.540030212openalex-snapshot
Optimization of equilibrium geometries and transition structures
inferredcites →https://doi.org/10.1002/jcc.540070402openalex-snapshot
An algorithm for the location of transition states
inferredcites →https://doi.org/10.1007/bf00696759openalex-snapshot
Products and mechanism of the reaction of NO3 with selected acyclic monoalkenes
inferredcites →https://doi.org/10.1016/0009-2614(72)80259-8openalex-snapshot
The effect of d-functions on molecular orbital energies for hydrocarbons
inferredcites →https://doi.org/10.1016/0009-2614(81)85480-2openalex-snapshot
Direct minimization in mc scf theory. the quasi-newton method
inferredcites →https://doi.org/10.1016/0009-2614(82)85052-5openalex-snapshot
MC SCF gradient optimization of the H2CO→H2 + CO transition structure
inferredcites →https://doi.org/10.1016/0009-2614(92)85244-5openalex-snapshot
An evaluation of three direct MC-SCF procedures
inferredcites →https://doi.org/10.1016/0009-2614(95)00797-8openalex-snapshot
Practical remarks on the selection of the active space in the CAS-SCF wavefunction
inferredcites →https://doi.org/10.1016/0022-2860(77)87053-1openalex-snapshot
Introduction to the electron theory of small molecules
inferredcites →https://doi.org/10.1016/0960-1686(91)90192-aopenalex-snapshot
The nitrate radical: Physics, chemistry, and the atmosphere
inferredcites →https://doi.org/10.1016/s0022-328x(00)99651-7openalex-snapshot
Ab initio molecular orbital theory
inferredcites →https://doi.org/10.1021/j100092a018openalex-snapshot
REMPI-MS and FTIR Study of NO2 and Oxirane Formation in the Reactions of Unsaturated Hydrocarbons with NO3 Radicals
inferredcites →https://doi.org/10.1021/j100323a028openalex-snapshot
Rate constants for the gas-phase reactions of the nitrate radical with a series of organic compounds at 296 .+-. 2 K
inferredcites →https://doi.org/10.1021/j100340a015openalex-snapshot
Studies of nitrate radical reactions with some atmospheric organic compounds at low pressures
inferredcites →https://doi.org/10.1021/j100369a041openalex-snapshot
Kinetics and products of the reactions of nitrate radical with monoalkenes, dialkenes, and monoterpenes
inferredcites →https://doi.org/10.1021/j100463a023openalex-snapshot
Mechanism of the gas-phase reactions of propylene and nitroxy radicals
inferredcites →https://doi.org/10.1021/j100583a002openalex-snapshot
Gas-phase reactions of the nitrate radical with olefins
inferredcites →https://doi.org/10.1021/j100606a600openalex-snapshot
Reaction of the Nitrate Radical with Acetaldehyde and Propylene
inferredcites →https://doi.org/10.1021/ja00190a006openalex-snapshot
An AM1 molecular orbital study of hydrogen bonding in crystalline nitroanilines
inferredcites →https://doi.org/10.1021/ja00299a024openalex-snapshot
Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
inferredcites →https://doi.org/10.1039/ft9938903899openalex-snapshot
Correlations between rate parameters and calculated molecular properties in the reactions of the nitrate radical with alkenes
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/10.1080/00268977900102871openalex-snapshot
Application of unitary group methods to configuration interaction calculations

What points at this work

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

inferred← citeshttps://doi.org/10.2139/ssrn.4640630openalex-extracted
inferred← citeshttps://doi.org/10.1002/ange.201804879openalex-snapshot
The Existence of Nitrate Radicals in Irradiated TiO2 Aqueous Suspensions in the Presence of Nitrate Ions
inferred← citeshttps://doi.org/10.1002/anie.201804879openalex-snapshot
The Existence of Nitrate Radicals in Irradiated TiO 2 Aqueous Suspensions in the Presence of Nitrate Ions
inferred← citeshttps://doi.org/10.1016/j.jphotochem.2024.115871openalex-snapshot
Unravelling the role of silver in addressing the nitrate radical induced photocatalytic oxidation of olefins to epoxides or carbonyl compounds
inferred← citeshttps://doi.org/10.1016/j.theochem.2004.07.012openalex-snapshot
A theoretical investigation of the mechanism of the NO3 addition to alkenes
inferred← citeshttps://doi.org/10.1021/acs.joc.6b01050openalex-snapshot
Photocatalytic Anion Oxidation and Applications in Organic Synthesis
inferred← citeshttps://doi.org/10.1021/ja990506lopenalex-snapshot
Ab Initio Study on the Mechanism of Tropospheric Reactions of the Nitrate Radical with Haloalkenes: Chloroethene
inferred← citeshttps://doi.org/10.1021/jp0001034openalex-snapshot
Ab Initio Study on the Mechanism of Tropospheric Reactions of the Nitrate Radical with Alkenes: Propene
inferred← citeshttps://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
inferred← citeshttps://doi.org/10.1021/jp011631yopenalex-snapshot
Evidence of A Possible Cycloaddition Channel in the Ethene + NO3 Reaction
inferred← citeshttps://doi.org/10.1021/jp0125000openalex-snapshot
A Computational Study of the Kinetics of the NO3Hydrogen-Abstraction Reaction from a Series of Aldehydes (XCHO: X = F, Cl, H, CH3)
inferred← citeshttps://doi.org/10.1021/jp200460bopenalex-snapshot
Mechanism and Kinetics of the Reaction NO3+ C2H4
inferred← citeshttps://doi.org/10.1039/c5cc01580dopenalex-snapshot
Visible light photooxidation of nitrate: the dawn of a nocturnal radical
inferred← citeshttps://doi.org/10.3390/ijms10093743openalex-snapshot
Theoretical Investigation of the NO3 Radical Addition to Double Bonds of Limonene
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