Publications

Author:
Year:

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"Competition of Charge-Density Waves and Superconductivity in Sulfur"
O. Degtyareva and M. V. Magnitskaya and J. Kohanoff and G. Profeta and S. Scandolo and M. Hanfland and M. I. McMahon and E. Gregoryanz, October 2007
doi:10.1103/physrevlett.99.155505

"Polarization Relaxation in an Ionic Liquid Confined between Electrified Walls†"
Carlos Pinilla and M. G. Del Pópolo and Jorge Kohanoff and R. M. Lynden-Bell, February 2007
doi:10.1021/jp067184+

"Clusters, Liquids, and Crystals of Dialkyimidazolium Salts. A Combined Perspective from ab Initio and Classical Computer Simulations"
Mario G. Del Pópolo and Jorge Kohanoff and Ruth M. Lynden-Bell and Carlos Pinilla, November 2007
doi:10.1021/ar700069c

"Neutral and Charged 1-Butyl-3-methylimidazolium Triflate Clusters:  Equilibrium Concentration in the Vapor Phase and Thermal Properties of Nanometric Droplets†"
P. Ballone and C. Pinilla and J. Kohanoff and M. G. Del Pópolo, February 2007
doi:10.1021/jp067484r

"Simulations of Ionic Liquids, Solutions, and Surfaces"
Ruth M. Lynden-Bell and Mario G. Del Pópolo and Tristan G. A. Youngs and Jorge Kohanoff and Christof G. Hanke and Jason B. Harper and Carlos C. Pinilla, October 2007
doi:10.1021/ar700065s

"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

"First-principles study of ferroelectricity and isotope effects in H-bondedKH2PO4crystals"
S. Koval and J. Kohanoff and J. Lasave and G. Colizzi and R. L. Migoni, May 2005
doi:10.1103/physrevb.71.184102

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