PPT Slide

Potential for Water (Polarizable & Flexible)

c/f Dipole moment:

Isolated water: 1.85 D

SPC/E: 2.351 D

Rigid potentials are Effective Pair Potential

Polarizable Potentials

-qO

+qH

+qH

Harmonic or

Morse Springs

Dang & Pettitt (1987)
Anderson et al. (1987)

TIP4P: Dang & Chang (1997)
MCY: Niesar et al. (1990)
SPC: Bernardo et al. (1994)

Flexible Potentials

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