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 |