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. Author manuscript; available in PMC: 2014 Sep 15.
Published in final edited form as: J Comput Chem. 2013 Jun 29;34(24):10.1002/jcc.23364. doi: 10.1002/jcc.23364

Table 4.

The areas with both κ2 and pbe parameter ranges for 1HEW model.

(Φmin, Φmax) (−∞, −1) [−1, 2] (2, +∞)
(−∞, −0.1) 37.3 172.9 86.9
[−0.1, 0.1] 72.3 2887.8 1554.7
(0.1, +∞) 0 21.6 24.4