Publications

Author:
Year:

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"Finite element modeling of the morphology of β to α phase transformation in Ti-6Al-4V alloy"
I. Katzarov and S. Malinov and W. Sha, April 2007
doi:10.1007/s11661-002-0204-4

"Phase diagrams and surface properties of modified water models"
J. Alejandre and R. M. Lynden-bell, December 2007
doi:10.1080/00268970701733405

"Robust nonadiabatic molecular dynamics for metals and insulators"
L. Stella and M. Meister and A. J. Fisher and A. P. Horsfield, December 2007
doi:10.1063/1.2801537

"Local and semilocal density functional computations for crystals of 1-alkyl-3-methyl-imidazolium salts"
M. G. Del Pópolo and C. Pinilla and P. Ballone, April 2007
doi:10.1063/1.2715571

"Structure-related effects on the domain wall migration in atomic point contacts"
Maria Stamenova and Sudhakar Sahoo and Tchavdar N. Todorov and Stefano Sanvito, March 2007
doi:10.1016/j.jmmm.2007.03.147

"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

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