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. 2008 May 9;27(3):275–285. doi: 10.1016/j.jmgm.2008.05.002

Table 4.

Selected Mulliken charge for all models

Atom Reagent Inter1 Hprod Oxyprod
S −0.140 −0.169 −0.071 −0.216
C1 −0.099 −0.039 −0.141 0.000
C2 −0.183 −0.234 −0.172 −0.687
Nτ −0.125 −0.120 −0.115 0.462
O4 −0.402 −0.436 −0.402 −0.313