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. Author manuscript; available in PMC: 2010 Feb 1.
Published in final edited form as: Curr Opin Chem Biol. 2009 Mar 9;13(1):99–113. doi: 10.1016/j.cbpa.2009.02.011

Table 5.

Calculated contributions of vibrational modes to the 2H-KIEs of H-atom abstraction of ABLM (modes described in Figure 8).

Vib. mode kH/kD
O-H stretch 1.02
OO-H ip bend 1.53
OO-H op bend 0.93
Secondary KIE 1.47
Primary KIE 2.61
Total KIE 3.84