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. Author manuscript; available in PMC: 2011 Feb 1.
Published in final edited form as: Chem Phys Lett. 2010 Feb 5;486(1-3):70–73. doi: 10.1016/j.cplett.2009.12.089

Table 1.

Comparison of the number of water molecules surrounding various atoms of the solutes, integrated to the minimum in the SSDQO (SPC/E) radial distribution function.

SSDQO:SPC/E SPC/E
Ethanol O – water O 3.35 (2.85) 2.90 (2.31)
Ethanol O – water H 1.86 1.33
Ethanol H – water O 0.90 0.77
Benzene cm – water O 1.07 0.95
Benzene cm – water H 1.28 1.06
NMA O – water O 2.55 (2.35) 2.35 (2.25)
NMA O – water H 2.52 2.12
NMA N – water O 0.77 0.52
NMA H – water O 1.03 0.75
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