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Accessibility information
Author(s):   Boughton, J.W.; Kristyan, S.; Lin, M.C.
Title:   Theoretical study of the reaction of hydrogen with nitric acid: ab initio MO and TST/RRKM calculations
Journal:   Chem. Phys.
Volume:   214
Page(s):   219 - 227
Year:   1997
Reference type:   Journal article
Squib:   1997BOU/KRI219-227

Reaction:   HNO3 + → (Z)-ONOH + ·OH
Reaction order:   2
Temperature:   300 - 3000 K
Pressure:  1.01 bar
Rate expression:   3.11x10-13 [cm3/molecule s] (T/298 K)2.30 e-29184 [J/mole]/RT
Bath gas:   N2
Category:  Experiment
Data type:   RRK(M) extrapolation

View full bibliographic record.

Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
300 2.62E-18
400 9.44E-17
500 9.13E-16
600 4.47E-15
700 1.47E-14
800 3.74E-14
900 7.99E-14
1000 1.50E-13
1100 2.58E-13
1200 4.10E-13
1300 6.18E-13
1400 8.88E-13
1500 1.23E-12
1600 1.65E-12
1700 2.16E-12
1800 2.76E-12
1900 3.47E-12
2000 4.28E-12
2100 5.21E-12
2200 6.25E-12
2300 7.42E-12
2400 8.72E-12
2500 1.02E-11
2600 1.17E-11
2700 1.35E-11
2800 1.53E-11
2900 1.73E-11
3000 1.95E-11