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Accessibility information
Author(s):   Crosby, L.D.;Kurtz, H.A.
Title:   Application of electronic structure and transition state theory: Reaction of hydrogen with silicon radicals
Journal:   Int. J. Quant. Chem.
Volume:   106
Page(s):   3149 - 3159
Year:   2006
Reference type:   Journal article
Squib:   2006CRO/KUR3149-3159

Reaction:   SiH4 + H2 + SiH3
Reaction order:   2
Temperature:   293 - 483 K
Rate expression:   9.21x10-11 [cm3/molecule s] e-10686 [J/mole]/RT
Category:  Theory
Data type:   Ab initio
Pressure dependence:   Rate constant is pressure independent
Comments:   Ab initio study, using density functional theory (DFT), with Canonical variational transition state theory (CVT) and small-curvature tunneling (SCT). MPW1K energies. Also, CCSD/aug-cc-pVDZ energies and rate constants reported, but not abstracted by NIST.

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Rate constant values calculated from the Arrhenius expression:

T (K)k(T) [cm3/molecule s]
293 1.15E-12
300 1.27E-12
325 1.77E-12
350 2.34E-12
375 2.99E-12
400 3.71E-12
425 4.48E-12
450 5.30E-12
475 6.15E-12
483 6.44E-12