Thermodynamic and kinetic analysis using AB initio calculations on dimethyl-ether radical+O2 reaction system

This publication has 16 references indexed in Scilit:

• A wide range modeling study of dimethyl ether oxidation
  International Journal of Chemical Kinetics, 1998
• Kinetic Studies of the Oxidation of Dimethyl Ether and Its Chain Reaction with Cl₂
  The Journal of Physical Chemistry A, 1997
• Oxidation of dimethyl ether: Absolute rate constants for the self reaction of CH3OCH2 radicals, the reaction of CH3OCH2 radicals with O2, and the thermal decomposition of CH3OCH2 radicals
  International Journal of Chemical Kinetics, 1997
• Harmonic Vibrational Frequencies: An Evaluation of Hartree−Fock, Møller−Plesset, Quadratic Configuration Interaction, Density Functional Theory, and Semiempirical Scale Factors
  The Journal of Physical Chemistry, 1996
• Dimethyl Ether Oxidation: Kinetics and Mechanism of the CH₃OCH₂ + O₂ Reaction at 296 K and 0.38−940 Torr Total Pressure
  The Journal of Physical Chemistry, 1996
• Ab Initio Study of α-Chlorinated Ethyl Hydroperoxides CH₃CH₂OOH, CH₃CHClOOH, and CH₃CCl₂OOH: Conformational Analysis, Internal Rotation Barriers, Vibrational Frequencies, and Thermodynamic Properties
  The Journal of Physical Chemistry, 1996
• Rate constants for reactions of substituted methyl radicals (CH2OCH3, CH2NH2, CH2I, and CH2CN) with O2
  The Journal of Physical Chemistry, 1995
• A complete basis set model chemistry. IV. An improved atomic pair natural orbital method
  The Journal of Chemical Physics, 1994
• Predictions of pressure and temperature effects upon radical addition and recombination reactions
  The Journal of Physical Chemistry, 1985
• Energy Levels and Thermodynamic Functions for Molecules with Internal Rotation I. Rigid Frame with Attached Tops
  The Journal of Chemical Physics, 1942