| Class | Description |
|---|---|
| ConformationEthanol |
Conformation for ethanol (positioned in standard orientation) as published in Rowley et al (2006)
K.R.
|
| ConformationMethanol |
Conformation for methanol in standard orientation as published in Rowley et al (2006)
OpenOffice Spreadsheet file, Methanol coordinates, used to calculate coordinates from bond lengths and angles:
K.R.
|
| DimerApproach | |
| EthanolPotentialHelper | |
| EthanolRouteParams | |
| MassProductionVirialRowleyAlcohol | |
| MethanolPotentialHelper | |
| MethanolRouteParams | |
| P2RepRowley |
Purely repulsive potential from Rowley et al (2006) used for interactions between satellite sites, X.
|
| SpeciesEthanol |
Species for ethanol with satellite site (Rowley et al 2006).
|
| SpeciesMethanol |
Species for methanol with satellite site (Rowley et al 2006).
|