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List of works by Cristina Díaz

A classical dynamics method for H2 diffraction from metal surfaces

scientific article published on 01 April 2005

A note on the vibrational efficacy in molecule-surface reactions

scientific article published on 01 March 2009

Apparent failure of the Born-Oppenheimer static surface model for vibrational excitation of molecular hydrogen on copper.

scientific article

Controlling the spatial arrangement of organic magnetic anions adsorbed on epitaxial graphene on Ru(0001).

scientific article

Dissociation and recombination of D₂ on Cu(111): ab initio molecular dynamics calculations and improved analysis of desorption experiments.

scientific article published in September 2014

Dynamics of H2 dissociation on the 1/2 ML c(2 × 2)-Ti/Al(100) surface

scientific article published on 31 January 2012

Dynamics of dissociative adsorption of hydrogen on a CO-precovered Ru(0001) surface: a comparison of theoretical and experimental results.

scientific article published on 3 December 2009

Effect of surface motion on the rotational quadrupole alignment parameter of D2 reacting on Cu(111)

scientific article published on 08 June 2012

Elastic response of graphene nanodomes.

scientific article published on 26 March 2013

Environment-driven reactivity of H2 on PdRu surface alloys

scientific article published on 01 September 2013

Experimental and theoretical study of rotationally inelastic diffraction of D2 from NiAl(110)

scientific article published on 06 October 2010

Experimental and theoretical study of rotationally inelastic diffraction of H2(D2) from methyl-terminated Si(111).

scientific article published in August 2016

Experimental evidence of dynamic trapping in the scattering of H2 from Pd(110)

scientific article published on 01 August 2006

Exploring surface landscapes with molecules: rotationally induced diffraction of H2 on LiF(001) under fast grazing incidence conditions

scientific article

Graphene catalyzes the reversible formation of a C–C bond between two molecules

scientific article published on 14 December 2018

Helium, neon and argon diffraction from Ru(0001)

scientific article published on 16 August 2012

Hydrogen dissociation on Cu(111): the influence of lattice motion. Part I

scientific article published on 28 January 2011

In-plane and out-of-plane diffraction of H(2) from metal surfaces

scientific article published on 08 December 2004

Long-range magnetic order in a purely organic 2D layer adsorbed on epitaxial graphene

Molecular Modelling of the H2 -Adsorptive Properties of Tetrazolate-Based Metal-Organic Frameworks: From the Cluster Approach to Periodic Simulations.

scientific article published on 14 March 2018

Molecular effects in H2 scattering from metal surfaces at grazing incidence

scientific article published on 30 June 2009

Multidimensional effects on dissociation of N2 on Ru(0001)

scientific article published on 08 March 2006

Nonadiabatic scattering of NO off Au3 clusters: A simple and robust diabatic state manifold generation method for multiconfigurational wavefunctions

scientific article published on 28 December 2018

Normal and off-normal incidence dissociative dynamics of O2(v,J) on ultrathin Cu films grown on Ru(0001)

scientific article published on 01 October 2020

Ordered arrays of metal-organic magnets at surfaces.

scientific article

Performance of van der Waals DFT approaches for helium diffraction on metal surfaces

scientific article published on 09 January 2019

Probing the Site-Dependent Kondo Response of Nanostructured Graphene with Organic Molecules

scientific article published on 24 July 2014

Prominent out-of-plane diffraction in helium scattering from a methyl-terminated Si(111) surface

scientific article published on 01 July 2019

Quantum and classical dynamics of reactive scattering of H2 from metal surfaces.

scientific article published on 03 August 2015

Reactive and nonreactive scattering of N2 from Ru(0001): a six-dimensional adiabatic study

scientific article published on 01 September 2006

Role of dispersion forces in the structure of graphene monolayers on Ru surfaces.

scientific article published on 5 May 2011

Self-energy corrected DFT-NEGF for conductance in molecular junctions: an accurate and efficient implementation for TRANSIESTA package applied to Au electrodes

scientific article published in 2022

Six-dimensional dynamics study of reactive and non reactive scattering of H(2) from Cu(111) using a chemically accurate potential energy surface.

scientific article published on 15 May 2010

Six-dimensional quasiclassical and quantum dynamics of H2 dissociation on the c(2 × 2)-Ti/Al(100) surface

scientific article published on 01 March 2011

Theoretical analysis of the relation between H2 dissociation and reflection on Pd surfaces.

scientific article published in January 2004

Thermal lattice expansion effect on reactive scattering of H2 from Cu(111) at T(s) = 925 K.

scientific article

Vibrational deexcitation and rotational excitation of H2 and D2 scattered from Cu(111): adiabatic versus non-adiabatic dynamics

scientific article published on 01 August 2012

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