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. Author manuscript; available in PMC: 2015 Jun 22.
Published in final edited form as: J Phys Chem B. 2005 May 12;109(18):8551–8556. doi: 10.1021/jp051184c

TABLE 3.

Calculated Transmission Coefficientsa and their Standard Deviations

level 278 K (5 °C)
318 K(45 °C)
H D H D
recrossing (Γ) 0.79 [0.27] 0.78 [0.25] 0.85 [0.21] 0.86 [0.17]
tunneling (κ) 3.77 [1.94] 3.48 [1.24] 2.84 [0.73] 2.59 [0.58]
overall (γ) 3.12 [1.89] 2.74 [1.16] 2.48 [0.95] 2.32 [0.62]
a

Averaged over 20 reaction coordinates; standard deviations are given in brackets.