Publications

Author:
Year:

"Electronic structure calculations for solids and molecules: theory and computational methods"
Kohanoff,J., June 2006

"Solvation Structure and Transport of Acidic Protons in Ionic Liquids:  A First-principles Simulation Study"
Mario G. Del Pópolo and Jorge Kohanoff and Ruth M. Lynden-Bell, April 2006
doi:10.1021/jp0602326

"Molecular electrostatic properties of ions in an ionic liquid"
Carlos E. Resende Prado and Mario G. Del Pópolo and T. G. A. Youngs and Jorge Kohanoff and R. M. Lynden-Bell, July 2006
doi:10.1080/00268970600765748

"Development of Complex Classical Force Fields through Force Matching to ab Initio Data:  Application to a Room-Temperature Ionic Liquid"
Tristan G. A. Youngs and Mario G. Del Pópolo and Jorge Kohanoff, March 2006
doi:10.1021/jp056931k