| Folks, Does anyone have experience with
charged imidazoliums? I am doing molecular dynamic calculations on small
droplets of ionic liquids. Obviously as the size of the drops increases, using
quantum methods gets too expensive. However, I have not been able to find force
field parameters for N+ CCNC five member rings. In particular bond stretching,
angle bending and torsional parameters. Any suggestions
appreciated. John University of Colorado at Boulder |