Our study employs matrix-isolation IR spectroscopy in various inert gases and quantum chemical computations. 
matrix-isolation IR spectroscopy
Our study employs matrix-isolation IR spectroscopy in various inert gases and quantum chemical computations. 
quantum chemical computations
A KIE of 1.1 was computed using the Wentzel-Kramers-Brillouin (WKB) CVT/SCT, and instanton approaches for the gas phase at the B3LYP/cc-pVTZ level of theory. 
Wentzel-Kramers-Brillouin (WKB) CVT/SCT
A KIE of 1.1 was computed using the Wentzel-Kramers-Brillouin (WKB) CVT/SCT, and instanton approaches for the gas phase at the B3LYP/cc-pVTZ level of theory. 
instanton approaches