Keywords: انتزاع هیدروژن; Hydrogen abstraction; Biodiesel; Generalized energy-based fragmentation (GEBF);
مقالات ISI انتزاع هیدروژن (ترجمه نشده)
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Keywords: انتزاع هیدروژن; Graphane; Formaldehyde; Hydrogen abstraction; Chain reaction;
Keywords: انتزاع هیدروژن; Hydrogen abstraction; Deformation/interaction model; Nonlinear transition state;
Keywords: انتزاع هیدروژن; Computational chemistry; Hydrogen abstraction; Kinetic modeling; Anharmonic torsion; Tunneling correction;
Keywords: انتزاع هیدروژن; 4,5-Diaza-9-fluorenone; Triplet excited state; Laser flash photolysis; Electron transfer; Hydrogen abstraction; Hammett equation
Keywords: انتزاع هیدروژن; Arrhenius plot; Deuterium kinetic isotope effect; Hydrogen abstraction; Site-directed mutagenesis; Hydrogen tunneling
Keywords: انتزاع هیدروژن; Proton exchange membrane; Perfluorosulfonic acid resin; Polyvinylidene fluoride; Semi-interpenetrating polymer network; Hydrogen abstraction
Hydrogen abstraction from CH3NH2, (CH3)2NH, and (CH3)3N by HOÌ2 radicals: A theoretical study
Keywords: انتزاع هیدروژن; Hydrogen abstraction; CH3NH2; (CH3)2NH; (CH3)3N; Kinetics; HOÌ2 radical;
Hydrogen abstraction from methane on cristobalite supported W and Mn oxo complexes: A DFT study
Keywords: انتزاع هیدروژن; DFT; Hydrogen abstraction; Methane; Oxidative coupling; MnNaW/SiO2;
Catalytic consequences of reactive oxygen species during C3H6 oxidation on Ag clusters
Keywords: انتزاع هیدروژن; Propylene; Propylene oxide; Epoxidation; Alkene oxidation; Combustion; Chemisorbed oxygen; Ag cluster; Hydroperoxyl species; Hydrogen abstraction; Oxygen coverage;
Hydrogen abstraction by NO2 from asymmetric methyl ethers: A theoretical investigation
Keywords: انتزاع هیدروژن; Hydrogen abstraction; Asymmetric methyl ether; NO2; Kinetics; BEP correlation;
Theoretical study of the effect of ligand topology on Fe(IV)O and Ru(IV)O complex reactivities
Keywords: انتزاع هیدروژن; Non-heme; Density functional theory calculation; Hydrogen abstraction; Ligand topology effect
Triplet reactivity of psoralens containing a benzo-fused furan ring: A laser flash photolysis study
Keywords: انتزاع هیدروژن; Laser flash photolysis; Benzo-fused furan ring psoralens; Hydrogen abstraction; Electron transfer; Hammett plot
Theoretical studies on kinetics, mechanism and thermochemistry of gas-phase reactions of CF3CHFCF2OCF3 with OH radicals and Cl atoms and fate of alkoxy radical at 298 K
Keywords: انتزاع هیدروژن; Hydrogen abstraction; Isodesmic reactions; Bond dissociation energy; Atmospheric lifetime; Hydrofluorocarbon radical decomposition
Theoretical studies on mechanism and kinetics of the hydrogen-abstraction reaction of CF2HCOOCH3 with OH radicals
Keywords: انتزاع هیدروژن; Direct dynamics method; Rate constant; Variational transition-state theory; Density functional theory; Hydrogen abstraction;
Laser flash photolysis study of the reactivity of β-naphthoflavone triplet: Hydrogen abstraction and singlet oxygen generation
Keywords: انتزاع هیدروژن; Naphthoflavone; Triplet excited state; Hydrogen abstraction; Singlet oxygen; TDDFT calculations
Computational study on the radical reaction C4HÂ +Â C4H10
Keywords: انتزاع هیدروژن; Direct dynamics; Rate coefficients; Variational transition state theory; Hydrogen abstraction;
Theoretical investigations on kinetics, mechanism and thermochemistry of the gas phase reactions of CHF2OCF2CHF2 with OH radicals
Keywords: انتزاع هیدروژن; CHF2CF2OCHF2; OH radical; G2(MP2); Hydrogen abstraction; Rate coefficients;
Electron transfer reactions between 1,8-dihydroxyanthraquinone and pyrimidines: A laser flash photolysis study
Keywords: انتزاع هیدروژن; Electron transfer; Hydrogen abstraction; Laser flash photolysis; 1,8-Dihydroxyanthraquinone (DHAQ); Pyrimidine
Theoretical studies on the reactions of CHF2CF2OCH3/CH2FCF2OCH3 with OH radicals
Keywords: انتزاع هیدروژن; Hydrogen abstraction; Displacement; Mechanism; Rate constants
Synthesis of new derivatives of a representative o-quinone scaffold by reduction at the electrode
Keywords: انتزاع هیدروژن; Cathodic reduction; 9,10-Phenanthrenequinone; Hydrogen abstraction; Radical coupling; Diazonium salt;
Hydrogen abstraction/nucleophilic addition: A novel reaction pathway between aromatic olefin radical cation and TEMPO
Keywords: انتزاع هیدروژن; Radical cation; TEMPO; Hydrogen abstraction; Mass spectrometry; DFT
Kinetic modeling for hydrogen-abstraction reaction of methylcyclohexane with the CH3 radical
Keywords: انتزاع هیدروژن; Computational chemistry; Hydrogen abstraction; Reaction engineering; Kinetics; Transition state theory; Nonlinear dynamics;
Detailed mechanistic modeling of poly(styrene peroxide) pyrolysis using kinetic Monte Carlo simulation
Keywords: انتزاع هیدروژن; Kinetic Monte Carlo; Poly(styrene peroxide); Kinetics; Hydrogen abstraction; Polymer decomposition; Mathematical modeling
Hydrogen peroxide synthesis by direct photoreduction of 2-ethylanthraquinone in aerated solutions
Keywords: انتزاع هیدروژن; Anthraquinone; Hydrogen peroxide; Photochemistry; Hydrogen abstraction; Green chemistry
Rate constants for hydrogen-abstraction by O˙H from n-butanol
Keywords: انتزاع هیدروژن; ab initio; Hydrogen abstraction; OH radical; Rate constant; Branching ratios; Butanol
Kinetics and thermochemistry of the gas-phase reactions of 4-ethylpyridine with OH radical: A DFT study
Keywords: انتزاع هیدروژن; 4-Ethylpyridine; OH radical; Addition; Hydrogen abstraction; Kinetics; DFT;
Unique solvent effect on photochemistry of ortho-alkylphenacyl benzoates
Keywords: انتزاع هیدروژن; Photochemistry; Solvent effect; Benzocyclobutenol; Hydrogen abstraction;
Theoretical studies on the kinetics and reactivity of the gas-phase addition and H-abstraction reactions of methylpyridine with atomic chlorine
Keywords: انتزاع هیدروژن; Picoline; Atomic chlorine; Addition; Hydrogen abstraction; Kinetics; DFT;
Chiral photochemistry within natural and functionalized cyclodextrins: Chiral induction in photocyclization products from carbonyl compounds
Keywords: انتزاع هیدروژن; Chiral induction; Hydrogen abstraction; Cyclodextrin; Functionalized cyclodextrin; Supramolecular chemistry
Theoretical investigation of the hydrogen abstraction from CF3CH2CF3 by OH radicals, F, and Cl atoms: A dual-level direct dynamics study
Keywords: انتزاع هیدروژن; Direct dynamics; Rate constant; Variational transition state; Hydrogen abstraction;
1-Oxoindan-2-yl and 1,3-dioxoindan-2-yl esters as photoremovable protecting groups
Keywords: انتزاع هیدروژن; Photochemistry; Hydrogen abstraction; Electron transfer; Indanone; Indandione; Carboxylic acid esters
Ab initio study of hydrogen abstraction reactions on toluene and tetralin
Keywords: انتزاع هیدروژن; Hydrogen abstraction; DFT calculations; Reaction barriers; Transition states;
Theoretical studies on the reactions of formaldehyde with OH and OHâ
Keywords: انتزاع هیدروژن; Formaldehyde; Hydroxyl; Hydrogen abstraction; H2 molecule elimination;
Elucidation of structure–reactivity relationships in hindered phenols via quantum chemistry and transition state theory
Keywords: انتزاع هیدروژن; Computation; Computational chemistry; Kinetics; Reaction engineering; Hindered phenols; Hydrogen abstraction
EPR studies on regio-selective H-abstraction by “magic blue” reagent from polymers
Keywords: انتزاع هیدروژن; Polyolefin; Olefin copolymer; Polydiene; Diene copolymer; Polysiloxane; Magic blue reagent; Hydrogen abstraction; Spin trapping
Structural factors affecting radical scavenging activity of chitooligosaccharides (COS) and its derivatives
Keywords: انتزاع هیدروژن; Chitooligosaccharides (COS); Radical scavenging; Ion chelation; Hydrogen abstraction
Can topological indices be used to predict gas-phase rate coefficients of importance to tropospheric chemistry? Free radical abstraction reactions of alkanes
Keywords: انتزاع هیدروژن; Topological indices; Kinetics; Hydrogen abstraction; Correlations; NMHCs
EPR studies on H-abstraction from methylbenzenes by “magic blue” reagent
Keywords: انتزاع هیدروژن; Methylbenzenes; Bis{perfluoro[1-(2-fluorosulfonyl)ethoxy]ethyl}nitroxide; Perfluoro-1-nitroso-1-[1-(2-fluorosulfonyl)ethoxy]ethane; Hydrogen abstraction; Spin trapping; Perfluoro[1-(2-fluorosulfonyl)ethoxy]ethyl benzyl nitroxides;
Solvent effects on the quenching of the equilibrating n,Ï* and Ï,Ï* triplet states of 9,10-phenanthrenequinone by 2-propanol
Keywords: انتزاع هیدروژن; Triplet state inversion; Hydrogen abstraction; Rate constant; Activation energy; Quinone; Aromatic ketone;
Reaction of CS2/Cl complexes with alcohols studied by pulse radiolysis
Keywords: انتزاع هیدروژن; CS2/Cl complex; Hydrogen abstraction; Selectivity; Pulse radiolysis;
EPR studies on H-abstraction from p-substituted benzaldehydes by new “Magic Blue” reagents and correlation analysis of aN values of Ï-fluorosulfonylperfluoroalkyl p-substituted benzoyl nitroxides
Keywords: انتزاع هیدروژن; Magic Blue; Hydrogen abstraction; Acyl nitroxide; Correlation analysis; Polar effects; Spin-delocalization;
Mechanisms of antioxidant activity: The DFT study of hydrogen abstraction from phenol and toluene by the hydroperoxyl radical
Keywords: انتزاع هیدروژن; Hydrogen abstraction; Hydroperoxyl radical; Antioxidants; Autoxidation; DFT;
Theoretical study of deuterium kinetic isotope effect in peroxidation of phenol and toluene
Keywords: انتزاع هیدروژن; Kinetic isotope effect; Tunneling; Hydrogen abstraction; Antioxidants; Hydroperoxyl radical;
Radical hydrogen abstraction-cyclization with a 2-bromovinylsilyl group as a bifunctional tether
Keywords: انتزاع هیدروژن; Radical reaction; Hydrogen abstraction; Silicon tether; Cyclization;
Prototropism in 2-acetyl benzimidazole and 2-benzoyl benzimidazole
Keywords: انتزاع هیدروژن; Proton transfer; Zwitterions; Time-resolved emission; Hydrogen abstraction; Anion band;
Two new anthraquinone photoreactions
Keywords: انتزاع هیدروژن; Electron transfer; Radical cyclization; Hydrogen abstraction; Anthraquinone; trans-4-Hydroxy-2-nonenal;
Hydrogen atom transfer methodology for the synthesis of C-22, C-23, and C-25 stereoisomers of cephalostatin north 1 side chain from spirostan sapogenins
Keywords: انتزاع هیدروژن; Cephalostatin; Radical reaction; Hydrogen abstraction; Alkoxyl radical; Steroid; Spirostan sapogenin;