These functions are given as (x-y-z) plots. 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 cut (4/6) |
?ch25 | 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 |