Publications

Author:
Year:

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"Strain-Tunable Spin Moment in Ni-Doped Graphene"
Elton J. G. Santos and A. Ayuela and D. Sánchez-Portal, November 2011
doi:10.1021/jp2077374

"Magnetism of covalently functionalized carbon nanotubes"
Elton J. G. Santos and D. Sánchez-Portal and A. Ayuela, August 2011
doi:10.1063/1.3623755

"Binding modes of diketo-acid inhibitors of HIV-1 integrase: A comparative molecular dynamics simulation study"
Meilan Huang and Guy H. Grant and W. Graham Richards, April 2011
doi:10.1016/j.jmgm.2011.04.002

"Prospects for ultracold carbon via charge exchange reactions and laser cooled carbides"
Nathan Wells and Ian C. Lane, October 2011
doi:10.1039/c1cp21304k

"Electronic states and spin-forbidden cooling transitions of AlH and AlF"
Nathan Wells and Ian C. Lane, August 2011
doi:10.1039/c1cp21313j

"Nano-indentation of a room-temperature ionic liquid film on silica: a computational experiment"
P. Ballone and M. G. Del Pópolo and S. Bovio and A. Podestà and P. Milani and N. Manini, December 2011
doi:10.1039/c2cp23459a

"Nonconservative current-induced forces: A physical interpretation"
Tchavdar N Todorov and Daniel Dundas and Anthony T Paxton and Andrew P Horsfield, October 2011
doi:10.3762/bjnano.2.79

"Quasiparticle calculations of the electronic properties of ZrO2 and HfO2 polymorphs and their interface with Si"
Gruening,M. and Shaltaf,R. and Rignanese,G-M. and, 2010

"Asprich peptides are occluded in calcite and permanently disorder biomineral crystals"
Metzler,R. and Tribello,G. and Parrinello,M. and Gilbert,P., 2010

"A self-learning algorithm for biased molecular dynamics"
Tribello,G. and Ceriotti,M. and Parrinello,M., 2010

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