Pages that link to "Q49039925"

The following pages link to Theoretical study of the thermodynamics and kinetics of hydrogen abstractions from hydrocarbons (Q49039925):

Displaying 21 items.

• Automatic mechanism generation for pyrolysis of di-tert-butyl sulfide. (Q39587668) (← links)
• Impact of tunneling on hydrogen-migration of the n-propylperoxy radical (Q39718768) (← links)
• Global investigation of potential energy surfaces for the pyrolysis of C(1)-C(3) hydrocarbons: toward the development of detailed kinetic models from first principles. (Q40469762) (← links)
• Theoretical Study of the Thermal Decomposition of Dimethyl Disulfide (Q42906809) (← links)
• Molecular dynamics calculation of molecular volumes and volumes of activation (Q44021095) (← links)
• Ambient reaction kinetics of atmospheric oxygenated organics with the OH radical: a computational methodology study (Q44475596) (← links)
• Computational Methods To Calculate Accurate Activation and Reaction Energies of 1,3-Dipolar Cycloadditions of 24 1,3-Dipoles (Q46289157) (← links)
• A DFT-based investigation of hydrogen abstraction reactions from methylated polycyclic aromatic hydrocarbons (Q46314179) (← links)
• Hydrogen radical additions to unsaturated hydrocarbons and the reverse beta-scission reactions: modeling of activation energies and pre-exponential factors (Q49119733) (← links)
• Kinetics of α hydrogen abstractions from thiols, sulfides and thiocarbonyl compounds (Q49158040) (← links)
• Kinetic modeling of α-hydrogen abstractions from unsaturated and saturated oxygenate compounds by carbon-centered radicals (Q49167324) (← links)
• Kinetics of homolytic substitutions by hydrogen atoms at thiols and sulfides (Q49168172) (← links)
• Modeling the influence of resonance stabilization on the kinetics of hydrogen abstractions (Q49172091) (← links)
• Kinetic modeling of hydrogen abstractions involving sulfur radicals. (Q53607593) (← links)
• Ligand-controlled regiodivergent pathways of rhodium(III)-catalyzed dihydroisoquinolone synthesis: experimental and computational studies of different cyclopentadienyl ligands. (Q54035463) (← links)
• Computational study on the mechanism of N-phenylimine derivatives’ pyrolysis reaction in the gas phase (Q59243420) (← links)
• Assessment of theoretical methods for the study of hydrogen abstraction kinetics of global warming gas species during their degradation and byproduct formation (IUPAC Technical Report) (Q59711702) (← links)
• Direct Ab initio dynamics study on the reaction of CH3CHF2 (HFC-152a) with the Cl atom (Q80928380) (← links)
• Molecular dynamics calculation of activation volumes (Q82435654) (← links)
• Benchmark of density functional theory methods on the prediction of bond energies and bond distances of noble-gas containing molecules (Q84486399) (← links)
• Theoretical study of the oxidation mechanisms of thiophene initiated by hydroxyl radicals (Q86618100) (← links)