!# ************************************************************************
!# Selected reactions with optimized rate constants from:
!#
!#   Carly E. LaGrotta, Qinghui Meng, Lei Lei, Mark C. Barbet, Zekai Hong, Michael P. Burke,
!#   "Resolving Discrepancies Between State-of-the-art Theory and Experiment for HO2  + HO2 
!#   via Multiscale Informatics," Journal of Physical Chemistry A (2023)
!#   https://doi.org/10.1021/acs.jpca.2c07297.

!# Please contact M.P. Burke (mpburke@columbia.edu) for further information


2OH(+M)<=>H2O2(+M)                                          3.491050E+12   0.204862   1503.000361
 LOW/                                                       3.939670E+25   -3.211138   2713.000361
 TROE/  5.5000E-01  1.0000E-30  1.0000E+30  1.0000E+30/
 CO2/3.0/H2O/10.0/HE/0.4/N2/2.0/
2HO2<=>H2O2+O2                                              7.931430E+02   2.854185   -922.968644
DUPLICATE
2HO2<=>H2O2+O2                                              1.402880E+15   -1.465994   -873.576182
DUPLICATE
2HO2<=>O2+2OH                                               2.649400E+17   -1.427084   8491.93445
HOOOOH=>2HO2                                                1.820770E+38   -8.772889   18682.7733
2HO2=>HOOOOH                                                6.214290E+26   -5.953328   1299.50489
HO2+OH<=>H2O+O2                                             1.236470E+09   1.226865   -2909.7021
DUPLICATE
HO2+OH<=>H2O+O2                                             -5.759890E+07   1.428584   -3771.09904
DUPLICATE
HO2+OH<=>H2O+O2X                                            2.111340E+03   2.675893   -1297.310299
2OH<=>H2O+O                                                 8.817770E+03   2.51975   -2575.40034

!# ************************************************************************