Publications

Author:
Year:

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"Organic Synthesis in the Interstellar Medium by Low-Energy Carbon Irradiation"
E. J. McBride and T. J. Millar and J. J. Kohanoff, May 2013
doi:10.1021/jp312342v

"First-Principles Study of the Electronic and Magnetic Properties of Defects in Carbon Nanostructures"
Elton J. G. Santos and Andrés Ayuela and Daniel Sánchez-Portal, May 2013
doi:10.1007/978-94-007-6413-2_2

"One-pot two-step mechanochemical synthesis: ligand and complex preparation without isolating intermediates"
Michael Ferguson and Nicola Giri and Xu Huang and David Apperley and Stuart L. James, December 2013
doi:10.1039/c3gc42141d

"Time-dependent density functional theory study of charge transfer in collisions"
Avendaño-Franco,G. and Piraux,B. and Gruening,M. and Gonze,X. and, 2012

"Locating binding poses in protein-ligand systems using reconnaissance metadynamics"
Soderhjelm,P. and Tribello,G. and Parrinello,M., 2012

"Using sketch-map coordinates to analyze and bias molecular dynamics simulations"
Tribello,G. and Ceriotti,M. and Parrinello,M., 2012

"On transition rates in surface hopping"
J. M. Escartín and P. Romaniello and L. Stella and P.-G. Reinhard and E. Suraud, December 2012
doi:10.1063/1.4770280

"Nonadiabatic Forces in Ion-Solid Interactions: The Initial Stages of Radiation Damage"
Alfredo A. Correa and Jorge Kohanoff and Emilio Artacho and Daniel Sánchez-Portal and Alfredo Caro, May 2012
doi:10.1103/physrevlett.108.213201

"Structure and interactions of ultracold Yb ions and Rb atoms"
H. D. L. Lamb and J. F. McCann and B. M. McLaughlin and J. Goold and N. Wells and I. Lane, August 2012
doi:10.1103/physreva.86.022716

"Current-induced atomic dynamics, instabilities, and Raman signals: Quasiclassical Langevin equation approach"
Jing-Tao Lü and Mads Brandbyge and Per Hedegård and Tchavdar N. Todorov and Daniel Dundas, June 2012
doi:10.1103/physrevb.85.245444

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