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Title: Theoretical studies of the geometries of H2GeNaF and its insertion reaction with R-H (R=F, OH, NH2, CH3)
Journal: Int. J. Quant. Chem.
Volume: 106
Page(s): 1902 - 1906
Year: 2006
Reference type: Journal article
Squib: 2006TAN/LI1902-1906
Reaction:
H2GeNaF + NH3 → Products
Rate expression:
no rate data available
Category: Theory
Data type:
Barrier height only calculated
Comments:
Geometries and insertion reactions of H2GeNaF investigated at the B3LYP/6-311+G level of theory. Potential barrier of ~184 kJ mol-1 calculated, includling the ZPVE correction.
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