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- Method: M06-2X/6-311+G(2df,2p) (Grids = 99974) ( Download coordinates )
- Reference:
"Multi-Structural Variational Transition State Theory: Kinetics of the 1,4-Hydrogen Shift
Isomerization of the Pentyl Radical with Torsional Anharmonicty," T. Yu, J. Zheng, and
D. G. Truhlar, Chemical Science, submitted April 7, 2011, Manuscript ID: SC-EDG-04-2011-000225.
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