kimmdy_hydrolysis.rates

rates

Functions

Name	Description
theoretical_reaction_rate_per_s	Calculate reaction rate in 1/s

theoretical_reaction_rate_per_s

rates.theoretical_reaction_rate_per_s(
    force=0,
    ts1=80,
    ts2=92,
    ts1_force_scaling=1.67,
    ts2_force_scaling=25.83,
    A=100000000000.0,
    temperature=300,
    ph_value=7.4,
)

Calculate reaction rate in 1/s

see SI of pill et al. 2019 http://dx.doi.org/10.1002/anie.201902752