Open Access

Table B.1

Corrections incorporated in the calculation of ΔG of binding. Quantities calculated at 20 K and 30 K. Energy and entropy units are kJ mol − 1 and kJ mol − 1 K−1. See that Boltzmann’s constant is about 0.0083 kJ mol−1, therefore thekBT and 3kBT/2 terms are also very small.

T = 20 K T = 30 K
ΔEvib ΔSvib ΔEvib ΔSvib

CH3 0.124 -0.007 0.010 0.005 0.293 -0.003 0.015 0.011

HCO 0.077 -0.012 0.034 0.011 0.228 -0.009 0.039 0.016

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