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TABLE I

Force Field Parameters of TIP3P-HW Model

\(r_{\mathrm{min}}^{OO}\)

\(r_{\mathrm{min}}^{DD}\)

εOO
εDD
qO
qD
bOD
θDOD
  kcal/mol kcal/mol e units e units  deg 
3.5365 0.449 0.1521 0.046 −0.842 −0.421 0.9572 104.52 
\(r_{\mathrm{min}}^{OO}\)

\(r_{\mathrm{min}}^{DD}\)

εOO
εDD
qO
qD
bOD
θDOD
  kcal/mol kcal/mol e units e units  deg 
3.5365 0.449 0.1521 0.046 −0.842 −0.421 0.9572 104.52 
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