These functions are given as (x-y-color) plots. The value of the g(rOO,rOH) and g(rOO,rHH) is given by the appropriate spectrum color. Note that values 0.1, 1.1, 2.1 etc. are drawn by the same color. Clicking a link lauches a new window. In the system name, ?=s stands for ST2 and ?=t for TIP4P.
| state | name | TIP4P | ST2 | ||
|---|---|---|---|---|---|
| 25oC 0.997 g cm-3 full, epsinf=80 |
?fh25 | OO-OH | OO-HH | OO-OH | OO-HH |
| 25oC 0.997 g cm-3 full, epsinf=1 |
?1h25 | OO-OH | OO-HH | OO-OH | OO-HH |
| 25oC 0.997 g cm-3 cut (4/6) |
?ch25 | OO-OH | OO-HH | OO-OH | OO-HH |
| 25oC 0.997 g cm-3 cut (8/10) |
?xh25 | OO-OH | OO-HH | OO-OH | OO-HH |
| 100oC 0.958 g cm-3 full epsinf=80 |
?fh100 | OO-OH | OO-HH | OO-OH | OO-HH |
| 100oC 0.958 g cm-3 cut (4/6) |
?ch100 | OO-OH | OO-HH | OO-OH | OO-HH |
| 700K 0.328 g cm-3 full epsinf=80 |
?fh700 | OO-OH | OO-HH | OO-OH | OO-HH |
| 700K 0.328 g cm-3 cut (4/6) |
?ch700 | OO-OH | OO-HH | OO-OH | OO-HH |