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. Author manuscript; available in PMC: 2015 Sep 1.
Published in final edited form as: Combust Flame. 2014 Mar 1;161(3):766–779. doi: 10.1016/j.combustflame.2013.05.027

Figure 11. Structure of (a) MF and (b) 2-furylmethyl radical.

Figure 11

Bold numbers: bond length (in Å) [12]; italic numbers: calculated bond dissociation energy (in kcal·mol−1) from the thermochemical data of molecules and radicals calculated theoretically at the CBS-QB3 level of theory [20]; numbers near the atoms are the atom labels.