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. Author manuscript; available in PMC: 2017 Apr 12.
Published in final edited form as: J Chem Theory Comput. 2016 Mar 14;12(4):2047–2054. doi: 10.1021/acs.jctc.5b01169

Figure 2.

Figure 2

Normalized histograms depicting the Hermite interpolation of full distribution function, P(λ,t), for the calculation of C(t′) for the hydride (a) and deuteride (c) systems. The last window, P(λ,t;i), of each distribution ((b) for the hydride system and (d) for the deuteride system) was denoted as the product region, and they were smoothed with a Gaussian function (shown in red) which was then integrated to determine C(t′).