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Title: Theoretical study of the hydrogen and chlorine abstraction from chloromethanes by silyl and trichlorosilyl radicals: A comparison between the Hartree-Fock method, perturbation theory, and density functional theory
Journal: J. Phys. Chem. A
Volume: 102
Page(s): 10142 - 10150
Year: 1998
Reference type: Journal article
Squib: 1998BOT10142-10150
Associated entries:
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Rate expression units:
First order: s-1
Second order: cm3/molecule s
Third order: cm6/molecule2 s
R = 8.314472 J / mole K
| Energy Units | J | Molecular Units | Molecule | |||
| Pressure Units | bar | Temperature Units | K | |||
| Base Volume Unit | cm | Reference Temperature | 298.0 | |||
| Evaluation Temperature | 298.0 |
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