Ab initio study of the two competitive channels HO2 + H → H2 + O2 and HO2 + H → H2O + O

[1]  S. Benson,et al.  Review of the heat of formation of the hydroperoxyl radical , 1983 .

[2]  L. Qiu,et al.  Kinetics and product channels of the reactions of perhydroxyl with oxygen and hydrogen atoms at 296 K , 1982 .

[3]  H. Schlegel,et al.  Optimization of equilibrium geometries and transition structures , 1982 .

[4]  D. Cremer.  Thermochemical data from ab initio calculations. II. Total correlation energies, Schrödinger energies, and theoretical heats of formation , 1982 .

[5]  B. Thrush,et al.  The rate of the reaction between H and HO2 , 1981 .

[6]  H. Radford,et al.  The EPR and LMR spectra of the DO2 radical: Determination of ground-state parameters , 1980 .

[7]  Henry F. Schaefer,et al.  A systematic theoretical study of harmonic vibrational frequencies: The ammonium ion NH4+ and other simple molecules , 1980 .

[8]  R. Jaffe,et al.  An ab initio investigation of the structure, vibrational frequencies, and intensities of HO2 and HOCl , 1979 .

[9]  H. Wagner,et al.  Reaktionen von Wasserstoffatomen mit Hydroperoxylradikalen II. Bestimmung der Geschwindigkeitskonstanten der Bruttoreaktion , 1979 .

[10]  P. Bunker,et al.  A precise solution of the rotation bending Schrödinger equation for a triatomic molecule with application to the water molecule , 1979 .

[11]  H. Wagner,et al.  Reaktionen von Wasserstoffatomen mit Hydroperoxylradikalen I. Bestimmung der spezifischen Geschwindigkeitskonstanten der Reaktionskanäle , 1978 .

[12]  C. Pouchan,et al.  Étude comparée des différents facteurs agissant sur la qualité des fonctions d’onde dans un calcul ab-initio de champ de forces , 1978 .

[13]  Ernest R. Davidson,et al.  Size consistency in the dilute helium gas electronic structure , 1977 .

[14]  Robert J. Buenker,et al.  Energy extrapolation in CI calculations , 1975 .

[15]  R. R. Baldwin,et al.  Second limit of hydrogen + oxygen mixtures: the reaction H + HO2 , 1974 .

[16]  L. Andrews,et al.  Argon matrix infrared spectra and vibrational analysis of the hydroperoxyl and deuteroperoxyl free radicals , 1974 .

[17]  G. Dixon-Lewis,et al.  Some reactions of hydroperoxyl and hydroxylradicals at high temperatures , 1973 .

[18]  A. A. Westenberg,et al.  Steady-state intermediate concentrations and rate constants. HO2 results , 1972 .

[19]  R. K. Nesbet,et al.  Computer Programs for Electronic Wave-Function Calculations , 1963 .

[20]  W. S. Benedict,et al.  Rotation‐Vibration Spectra of Deuterated Water Vapor , 1956 .