Pablo Ordejón

发表

Order-N tight-binding methods for electronic-structure and molecular dynamics

Pablo Ordejón, P. Ordejón, Pablo Ordej, 1998 .

An efficient implementation of a QM–MM method in SIESTA

Alberto García, Alejandro Soba, Rogeli Grima, 2011 .

New Strategies for Nanomaterials Design: Simulation

Pablo Ordejón, 2010 .

Trends in Nanotechnology (TNT2007)

Pablo Ordejón, Antonio Correia, Juan José Sáenz, 2008 .

The quest of magnetism in Graphene

Jean-Christophe Charlier, Stephan Roche, Pablo Ordejón, 2011 .

Trends in nanotechnology (TNT2005)

Pablo Ordejón, Ronald G. Reifenberger, Juan José Sáenz, 2006 .

Evidence for the weak coupling scenario of the Peierls transition in the blue bronze

Enric Canadell, Pablo Ordejón, Miguel Pruneda, 2019, Physical Review Materials.

Phonon eigenvectors of chiral nanotubes

Christian Thomsen, Stephanie Reich, Pablo Ordejón, 2001 .

ELECTRONIC-STRUCTURE-BASED MOLECULAR-DYNAMICS METHOD FOR LARGE BIOLOGICAL SYSTEMS : APPLICATION TO THE 10 BASEPAIR POLY(DG).POLY(DC) DNA DOUBLE HELIX

Otto F. Sankey, Pablo Ordejón, P. Ordejón, 1997 .

Density‐functional method for very large systems with LCAO basis sets

Daniel Sánchez-Portal, Emilio Artacho, Pablo Ordejón, 1997 .

Environment effects on chemical reactivity of heme proteins

Darío A. Estrin, Pablo Ordejón, Marcelo A. Martí, 2002 .

Theoretical study of the nonlinear conductance of di-thiol benzene coupled to Au(111) surfaces via thiol and thiolate bonds

Kurt Stokbro, Pablo Ordejón, Mads Brandbyge, 2003 .

Crystal symmetry and pressure effects on the valence band structure of γ -InSe and ε -GaSe: Transport measurements and electronic structure calculations

Enric Canadell, Pablo Ordejón, Francisco Javier Manjón, 2005 .

Ab initio calculations of the optical properties of 4-Å-diameter single-walled nanotubes

Daniel Sánchez-Portal, Christian Thomsen, Stephanie Reich, 2002 .

Systematic ab initio study of the electronic and magnetic properties of different pure and mixed iron systems

Javier Junquera, Daniel Sánchez-Portal, Emilio Artacho, 2000 .

Fullerene growth and the role of nonclassical isomers

Pablo Ordejón, H. Terrones, H. Terrones, 2001 .

Characterization of the unoccupied and partially occupied states of TTF-TCNQ by XANES and first-principles calculations

Enric Canadell, Risto M. Nieminen, Jordi Fraxedas, 2003 .

Defects of the SiC/SiO2 interface: energetics of the elementary steps of the oxidation reaction

Peter Deák, Adam Gali, Jan M. Knaup, 2003 .

Strength of radial breathing mode in single-walled carbon nanotubes

Christian Thomsen, Stephanie Reich, Pablo Ordejón, 2005 .

Modulation of the NO trans effect in heme proteins: implications for the activation of soluble guanylate cyclase

Darío A. Estrin, Pablo Ordejón, Fabio Doctorovich, 2003, JBIC Journal of Biological Inorganic Chemistry.

Tunneling and electronic structure of the two-gap superconductor MgB2

Enric Canadell, Pablo Ordejón, Y. Noat, 2015 .

Electronic band structure of isolated and bundled carbon nanotubes

Christian Thomsen, Stephanie Reich, Pablo Ordejón, 2002 .

Ab initio study of NOx compounds adsorption on SnO2 surface

Joan Daniel Prades, Joan Ramon Morante, Albert Cirera, 2007 .

Coexistence of Elastic Modulations in the Charge Density Wave State of 2 H-NbSe2.

Roberto Robles, Enric Canadell, Pablo Ordejón, 2019, Nano letters.