List of works - Michel A Van Hove

A random rotor molecule: Vibrational analysis and molecular dynamics simulations

article

A standard format for reporting atomic positions: Further needs and options

Atomic-scale structure: From surfaces to nanomaterials

Atomistic Simulations of fcc Pt75Ni25 and Pt75Re25 Cubo-octahedral Nanoparticles

CO dissociation on magnetic Fe(n) clusters.

scientific article

Circular Dichroism inK-Shell Ionization from Fixed-in-Space CO andN2Molecules

scientific article published in Physical Review Letters

Computational prediction of optimal metal ions to induce coordinated polymerization of muscle-like [c2]daisy chains

scientific article published on 22 February 2016

Controlling the Rotational Barrier of Single Porphyrin Rotors on Surfaces

scientific article published on 31 January 2020

Cooperative Modulation of Electronic Structures of Aromatic Molecules Coupled to Multiple Metal Contacts

scientific article published in Physical Review Letters

Differential Photoelectron Holography: A New Approach for Three-Dimensional Atomic Imaging

scientific article published in Physical Review Letters

Donor/Acceptor Properties of Aromatic Molecules in Complex Metal-Molecule Interfaces

scientific article

Efficient calculation of electron diffraction for the structural determination of nanomaterials.

scientific article published on 3 August 2006

Electron Stimulation of Internal Torsion of a Surface-Mounted Molecular Rotor

scientific article published on 01 August 2010

Energetics and dynamics of a new type of extended line defects in graphene

scientific article published on 20 March 2012

Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defects

scientific article published on 01 November 2015

Exploring Molecules beyond CO as Tip Functionalizations in High-Resolution Noncontact Atomic Force Microscopy: A First Principles Approach

scientific article published on 21 November 2016

Fragment motion in motor molecules: basic concepts and application to intra-molecular rotations

scientific article published on 01 August 2018

From surface science to nanotechnology

Green emission in ZnO nanostructures—Examination of the roles of oxygen and zinc vacancies

article by Y.H. Leung et al published April 2013 in Applied Surface Science

Higher-generation type III-B rotaxane dendrimers with controlling particle size in three-dimensional molecular switching.

scientific article published on 5 February 2018

Interlocking Mechanism between Molecular Gears Attached to Surfaces.

scientific article published on 22 February 2018

Interlocking Molecular Gear Chains Built on Surfaces.

scientific article published in May 2018

Intramolecular Torque Study of a Molecular Rotation Stimulated by Electron Injection and Extraction

scientific article published on 18 September 2018

Intramolecular torque, an indicator of the internal rotation direction of rotor molecules and similar systems ⬇️

scientific article published on 24 October 2016

Manipulating Magnetism at Organic/Ferromagnetic Interfaces by Molecule-Induced Surface Reconstruction

scientific article published on 11 March 2016

Manipulating localized molecular orbitals by single-atom contacts

scientific article published on 13 September 2010

Mechanical properties of solid C60 studied with density functional tight binding method augmented by an empirical dispersion term

scientific article published on 13 June 2008

Monte Carlo simulations of segregation in Pt-Ni catalyst nanoparticles

scientific article

Monte Carlo simulations of segregation in Pt-Re catalyst nanoparticles

scientific article published in September 2004

Novel genetic algorithm search procedure for LEED surface structure determination

scientific article published on 13 May 2014

Optimal Electron Doping of aC60Monolayer on Cu(111) via Interface Reconstruction

scientific article published in Physical Review Letters

Oxygen vacancy diffusion in bare ZnO nanowires

scientific article published on 29 August 2014

Prospects for resolving chemical structure by atomic force microscopy: a first-principles study

scientific article published on November 2010

Revealing highly unbalanced energy barriers in the extension and contraction of the muscle-like motion of a [c2]daisy chain

scientific article published on 01 July 2015

Scaling behavior of genetic algorithms applied to surface structural determination by LEED

Selective adsorption of L-serine functional groups on the anatase TiO2(101) surface in benthic microbial fuel cells

scientific article published on 28 August 2014

Single-Molecule Resolution of an Organometallic Intermediate in a Surface-Supported Ullmann Coupling Reaction

scientific article published on 21 July 2011

Strong slip-induced anomalous enhancement and red-shifts in wide-range optical absorption of graphite under uniaxial pressure

scientific article published in August 2014

Substrate mediated stabilization of methylphosphonic acid on ZnO non-polar surfaces'

Surface sensitivity in electron spectroscopy: coherent versus incoherent scattering models

Surface structures of cubo-octahedral Pt-Mo catalyst nanoparticles from Monte Carlo simulations

scientific article published in June 2005

TheNISTSurface Structure Database – SSD version 4

scientific article published on 29 May 2002

List of works by Michel A Van Hove

A random rotor molecule: Vibrational analysis and molecular dynamics simulations

A standard format for reporting atomic positions: Further needs and options

Atomic-scale structure: From surfaces to nanomaterials

Atomistic Simulations of fcc Pt75Ni25 and Pt75Re25 Cubo-octahedral Nanoparticles

CO dissociation on magnetic Fe(n) clusters.

Circular Dichroism inK-Shell Ionization from Fixed-in-Space CO andN2Molecules

Computational prediction of optimal metal ions to induce coordinated polymerization of muscle-like [c2]daisy chains

Controlling the Rotational Barrier of Single Porphyrin Rotors on Surfaces

Cooperative Modulation of Electronic Structures of Aromatic Molecules Coupled to Multiple Metal Contacts

Differential Photoelectron Holography: A New Approach for Three-Dimensional Atomic Imaging

Donor/Acceptor Properties of Aromatic Molecules in Complex Metal-Molecule Interfaces

Efficient calculation of electron diffraction for the structural determination of nanomaterials.

Electron Stimulation of Internal Torsion of a Surface-Mounted Molecular Rotor

Energetics and dynamics of a new type of extended line defects in graphene

Enhancement of spin polarization induced by Coulomb on-site repulsion between localized pz electrons in graphene embedded with line defects

Exploring Molecules beyond CO as Tip Functionalizations in High-Resolution Noncontact Atomic Force Microscopy: A First Principles Approach

Fragment motion in motor molecules: basic concepts and application to intra-molecular rotations

From surface science to nanotechnology

Green emission in ZnO nanostructures—Examination of the roles of oxygen and zinc vacancies

Higher-generation type III-B rotaxane dendrimers with controlling particle size in three-dimensional molecular switching.

Interlocking Mechanism between Molecular Gears Attached to Surfaces.

Interlocking Molecular Gear Chains Built on Surfaces.

Intramolecular Torque Study of a Molecular Rotation Stimulated by Electron Injection and Extraction

Intramolecular torque, an indicator of the internal rotation direction of rotor molecules and similar systems ⬇️

Manipulating Magnetism at Organic/Ferromagnetic Interfaces by Molecule-Induced Surface Reconstruction

Manipulating localized molecular orbitals by single-atom contacts

Mechanical properties of solid C60 studied with density functional tight binding method augmented by an empirical dispersion term

Monte Carlo simulations of segregation in Pt-Ni catalyst nanoparticles

Monte Carlo simulations of segregation in Pt-Re catalyst nanoparticles

Novel genetic algorithm search procedure for LEED surface structure determination

Optimal Electron Doping of aC60Monolayer on Cu(111) via Interface Reconstruction

Oxygen vacancy diffusion in bare ZnO nanowires

Prospects for resolving chemical structure by atomic force microscopy: a first-principles study

Revealing highly unbalanced energy barriers in the extension and contraction of the muscle-like motion of a [c2]daisy chain

Scaling behavior of genetic algorithms applied to surface structural determination by LEED

Selective adsorption of L-serine functional groups on the anatase TiO2(101) surface in benthic microbial fuel cells

Single-Molecule Resolution of an Organometallic Intermediate in a Surface-Supported Ullmann Coupling Reaction

Strong slip-induced anomalous enhancement and red-shifts in wide-range optical absorption of graphite under uniaxial pressure

Substrate mediated stabilization of methylphosphonic acid on ZnO non-polar surfaces'

Surface sensitivity in electron spectroscopy: coherent versus incoherent scattering models

Surface structures of cubo-octahedral Pt-Mo catalyst nanoparticles from Monte Carlo simulations

TheNISTSurface Structure Database – SSD version 4

Thermally activated transformation of the adsorption configurations of a complex molecule on a Cu(111) surface

X-ray photoelectron diffraction study of Cu(111): Multiple scattering investigation