Publications

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Year:

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"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

"Can Marcus Theory Be Applied to Redox Processes in Ionic Liquids? A Comparative Simulation Study of Dimethylimidazolium Liquids and Acetonitrile"
R. M. Lynden-Bell, August 2007
doi:10.1021/jp074298s

"Solvation in modified water models: towards understanding hydrophobic effects"
R. M. Lynden-bell and Teresa Head-gordon, July 2007
doi:10.1080/00268970601022727

"Does Marcus theory apply to redox processes in ionic liquids? A simulation study"
R.M. Lynden-Bell, May 2007
doi:10.1016/j.elecom.2007.04.010

"Ab initio study of 2,3,7,8-tetrachlorinated dibenzo-p-dioxin adsorption on single wall carbon nanotubes"
Solange B. Fagan and E.J.G. Santos and A.G. Souza Filho and J. Mendes Filho and A. Fazzio, February 2007
doi:10.1016/j.cplett.2007.01.071

"Current-induced forces in atomic-scale conductors"
T. N. Todorov and J. Hoekstra and A. P. Sutton, July 2007
doi:10.1080/13642810008208601

"The computational modeling of alloys at the atomic scale: From ab initio and thermodynamics to radiation-induced heterogeneous precipitation"
A. Caro and M. Caro and P. Klaver and B. Sadigh and E. M. Lopasso and S. G. Srinivasan, May 2007
doi:10.1007/s11837-007-0055-y

"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

"Interstitials in FeCr alloys studied by density functional theory"
T. P. C. Klaver and P. Olsson and M. W. Finnis, December 2007
doi:10.1103/physrevb.76.214110

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