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. Author manuscript; available in PMC: 2008 Jul 11.
Published in final edited form as: J Am Chem Soc. 2006 Jun 14;128(23):7594–7607. doi: 10.1021/ja0606024

Figure 8.

Figure 8

Predicted absolute 13C KIE at 0 °C for the dichloroketene reaction, based on the mPW1K/6−31+G** transition structure 16 and the B3LYP/6−311+G** transition structure 18.