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. Author manuscript; available in PMC: 2013 Nov 13.
Published in final edited form as: J Chem Theory Comput. 2012 Sep 18;8(11):3993–3997. doi: 10.1021/ct300234g

Figure 1.

Figure 1

(a) Lewis scheme of SN2 reaction between chloromethane and bromide ion. (b) IRC path for SN2 reaction between chloromethane and bromide ion with ELF-NCI snapshots of reactants, transition state and products. Relative Energy = E-Ereact were Ereact is the energy of the initial state and E the energy of an IRC point.