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. Author manuscript; available in PMC: 2010 Dec 1.
Published in final edited form as: J Comput Chem. 2009 Dec;30(16):2706–2711. doi: 10.1002/jcc.21296

Figure 2.

Figure 2

The C-Cl and C-Cl’ bond distributions at the transition state for Cl− + CH3Cl → ClCH3 + Cl− reaction in water. Graph A, B, C, D indicate the C-Cl bond distributions for 0.5 fs and 1 fs with standard mass, 2 fs and 3 fs with modified hydrogen mass of 10 amu; Graph A’, B’, C’, D’ point to the C-Cl’ bond distributions for the same set of simulations respectively.