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. 2014 Aug 28;118(38):11007–11027. doi: 10.1021/jp503372v

Table 8. Integrated First Peak of Different RDFs Associated with an Excess Proton in Bulk Water.

  gO0–O gO1x–O gO1yz–O gO0–H
EPSRa 2.1     10–12
CPMD-HCTHb 3.0 3.1 3.7  
MS-EVB3c 3.0     10–12
DFTB3-diag+gausd 4.5 5.4 6.1 16
DFTB3/3OB 4.8 5.4 6.0 12.7
DFTB3/3OBw 3.3 4.2 4.3 11
a

References (136 and 137).

b

Reference (100).

c

Reference (138).

d

Reference (96).