Publications

Author:
Year:

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"Performance of Density Functionals for Calculating Barrier Heights of Chemical Reactions Relevant to Astrophysics"
Andersson,S and Gruening,M. and, 2004

"Improved Description of Chemical Barriers with Generalized Gradient Approximations (GGAs) and Meta-GGAs "
Gruening,M. and Gritsenko,O. and Baerends,E. and, 2004

"Ab-initio investigations of pressure effects on the ferroelectric instabilities in KDP and DKDP"
Colizzi,G. and Kohanoff,J. and Lasave,J. and Koval,S. and Migoni,R.L., 2004

"Liquid-liquid phase transitions in phosphorus: Insight from simulations."
Jones,R.O. and Ballone,P., August 2004

"Theory of phonon dissipation in the conduction of stressed Au nanowires"
Lorenzo Stella and G.E. Santoro and M. Fabrizio and E. Tosatti, June 2004
doi:10.1016/j.susc.2004.06.121

"Monte Carlo simulation of properties of monolayers and metal islands adsorbed on metallic (111) surfaces"
Rojas,M.L. and Del Popolo,M.G. and Leiva,E.P.M., May 2004

"Molecular dynamics simulation of silicon sputtering: sensitivity to the choice of potential"
B.J. Thijsse and T.P.C. Klaver and E.F.C. Haddeman, May 2004
doi:10.1016/j.apsusc.2004.03.207

"Dominique Levesque"
JEAN-PIERRE HANSEN and RUTH LYNDEN-BELL, May 2004
doi:10.1080/0026897031000094515

"SrTiO3(001)(2×1)reconstructions: First-principles calculations of surface energy and atomic structure compared with scanning tunneling microscopy images"
Karen Johnston and Martin R. Castell and Anthony T. Paxton and Michael W. Finnis, August 2004
doi:10.1103/physrevb.70.085415

"Are Current-Induced Forces Conservative?"
M. Di Ventra and Y.-C. Chen and T. N. Todorov, April 2004
doi:10.1103/physrevlett.92.176803

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