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List of works by Marie-Laure Bocquet

A sum rule for Inelastic Electron Tunneling Spectroscopy: an ab initio study of a donor (TTF) and acceptors (TCNE, TCNQ and DCNQI) parallelly oriented on Cu(100)

scientific article published on 28 August 2013

A theoretical rationalization of a total inelastic electron tunneling spectrum: the comparative cases of formate and benzoate on Cu(111).

scientific article

Actinide Coordination Chemistry on Surfaces: Synthesis, Manipulation, and Properties of Thorium Bis(porphyrinato) Complexes

scientific article published on 3 September 2021

Adatom Coadsorption with Three-Dimensional Cyclophanes on Ag(111)

scientific article published in November 2017

Adsorption of ammonia on multilayer iron phthalocyanine

scientific article published on 01 March 2011

Adsorption orientation and STM imaging of meta-benzyne resolved by scanning tunnelling microscopy and ab initio calculations

scientific article published in August 2009

Adsorption structure, energetics, and thermal reactions of vinyl chloride on Ag()

scientific article published in January 2003

Ammonia adsorption on iron phthalocyanine on Au(111): influence on adsorbate-substrate coupling and molecular spin

scientific article published on 01 March 2011

Arrays of Ru nanoclusters with narrow size distribution templated by monolayer graphene on Ru

scientific article published in September 2011

Assembly of Ferrocene Molecules on Metal Surfaces Revisited

scientific article published on 16 January 2015

Atomic-scale spin sensing with a single molecule at the apex of a scanning tunneling microscope

scientific article published on 01 November 2019

Chemical origin of a graphene moiré overlayer on Ru(0001)

scientific article published on 16 April 2008

Chemisorbed vs physisorbed surface charge and its impact on electrokinetic transport: Carbon vs boron nitride surface

scientific article published on 24 January 2022

Chemisorption of Hydroxide on 2D Materials from DFT Calculations: Graphene versus Hexagonal Boron Nitride

scientific article

Cis-dicarbonyl binding at cobalt and iron porphyrins with saddle-shape conformation

scientific article published on 09 January 2011

Comment on "Periodically rippled graphene: growth and spatially resolved electronic structure"

scientific article published on 29 August 2008

Comparison of electronic structure and template function of single-layer graphene and a hexagonal boron nitride nanomesh on Ru(0001)

scientific article published on 12 January 2009

Comparison of the Carbonyl and Nitrosyl Complexes Formed by Adsorption of CO and NO on Monolayers of Iron Phthalocyanine on Au(111)

scientific article published on 28 November 2011

Controlled spin switching in a metallocene molecular junction.

scientific article published on 7 December 2017

Covalent Functionalization by Cycloaddition Reactions of Pristine Defect-Free Graphene

scientific article

Dehydrogenation of aromatic molecules under a scanning tunneling microscope: pathways and inelastic spectroscopy simulations

scientific article

Depopulation of Single-Phthalocyanine Molecular Orbitals upon Pyrrolic-Hydrogen Abstraction on Graphene.

scientific article published on 26 January 2016

Direct observation of water-mediated single-proton transport between hBN surface defects

scientific article published on 25 May 2020

Direct quantitative identification of the "surface trans-effect"

scientific article published on 09 June 2016

EXPLORING THE CATALYTIC ACTIVITY OF A NOBLE METAL: THE Ag CATALYZED ETHYLENE EPOXIDATION REACTION

Efficient Spin-Flip Excitation of a Nickelocene Molecule

scientific article

Electron spectroscopy study of the initial stages of iron phthalocyanine growth on highly oriented pyrolitic graphite

scientific article published on 01 December 2009

Ethene epoxidation selectivity inhibited by twisted oxametallacycle: a DFT study on Ag surface-oxide.

scientific article

Exciting vibrons in both frontier orbitals of a single hydrocarbon molecule on graphene

scientific article published on 30 November 2018

Fluctuation-induced quantum friction in nanoscale water flows

scientific article published on 2 February 2022

Fusing tetrapyrroles to graphene edges by surface-assisted covalent coupling.

scientific article published on 29 August 2016

Graphene on Ru(0001): contact formation and chemical reactivity on the atomic scale

scientific article published on 29 November 2010

Imaging the surface and the interface atoms of an oxide film on Ag111 by scanning tunneling microscopy: experiment and theory

scientific article published on 01 April 2000

In-Situ Growth of Gadolinium Phthalocyaninato Sandwich Complexes on the Ag(111) Surface

scientific article published on 08 July 2019

Inelastic spectroscopy identification of STM-induced benzene dehydrogenation

scientific article published on 06 March 2006

Interfacial coupling in rotational monolayer and bilayer graphene on Ru(0001) from first principles

scientific article published on 27 June 2012

Ligand-Induced Energy Shift and Localization of Kondo Resonances in Cobalt-Based Complexes on Cu(111).

scientific article published on 18 October 2017

Metal–organic interaction probed by First Principles STM simulations

scientific article published in September 2010

Monolayer Graphene and h -BN on Metal Substrates as Versatile Templates for Metallic Nanoclusters

scientific article published on 31 August 2011

Nature of adhesion of condensed organic films on platinum by first-principles simulations

scientific article published on 22 February 2011

Nature of the bias-dependent symmetry reduction of iron phthalocyanine on Cu(111)

scientific article published on 19 August 2015

New Insights into Ethene Epoxidation on Two Oxidized Ag{111} Surfaces

scientific article published on 01 May 2003

New avenues for the large-scale harvesting of blue energy

scientific article published on 8 November 2017

Novel Water Overlayer Growth on Pd(111) Characterized with Scanning Tunneling Microscopy and Density Functional Theory

scientific article published in Physical Review Letters

On-Surface Radical Oligomerisation: A New Approach to STM Tip-Induced Reactions

scientific article published on 25 July 2018

On-Surface Synthesis of Nonmetal Porphyrins

scientific article published on 16 January 2020

Orbital Specific Chirality and Homochiral Self-Assembly of Achiral Molecules Induced by Charge Transfer and Spontaneous Symmetry Breaking

scientific article published in Physical Review Letters

Organic–Clay Interfacial Chemical Bonds Probed by ab Initio Calculations

scientific article published on 18 March 2015

Probing nitrosyl ligation of surface-confined metalloporphyrins by inelastic electron tunneling spectroscopy

scientific article

Probing the proton location in a water bilayer on Pd (111) by inelastic spectroscopy simulations

scientific article published on 01 March 2009

Pyridine Adsorption on Single-Layer Iron Phthalocyanine on Au(111)

scientific article published on 27 September 2011

Quantifying Force and Energy in Single-Molecule Metalation

scientific article published on 24 March 2022

Reaction of Phthalocyanines with Graphene on Ir(111).

scientific article published on 16 July 2015

Resonance Charges to Encode Selection Rules in Inelastic Electron Tunneling Spectroscopy

scientific article published on 4 October 2012

Restoring the Co magnetic moments at interfacial Co-porphyrin arrays by site-selective uptake of iron.

scientific article published on 9 April 2015

Scrutinizing individual CoTPP molecule adsorbed on coinage metal surfaces from the interplay of STM experiment and theory

scientific article published in May 2015

Selective scanning tunnelling microscope electron-induced reactions of single biphenyl molecules on a Si(100) surface

scientific article

Sensitizers in inelastic electron tunneling spectroscopy: a first-principles study of functional aromatics on Cu(111) ⬇️

scientific article published on July 13, 2012

Shape of molecular adsorbates in STM images: A theoretical study of benzene on Pt(111)

scientific article published on 01 February 1996

Single terrace growth of graphene on a metal surface

scientific article published on 05 April 2011

Specific ethene surface activation on silver oxide covered Ag[111] from the interplay of STM experiment and theory

scientific article published on 01 March 2003

Spin in a Closed-Shell Organic Molecule on a Metal Substrate Generated by a Sigmatropic Reaction

scientific article published on 12 December 2018

Spontaneous liquid water dissociation on hybridised boron nitride and graphene atomic layers from ab initio molecular dynamics simulations

scientific article published on 27 February 2020

Structure Determination of the Coincidence Phase of Graphene on Ru(0001)

scientific article published in Physical Review Letters

Structure and chemistry of graphene oxide in liquid water from first principles

scientific article published on 26 March 2020

Surface Phase Nucleation of Lead Monoatomic Layers on Si(111) Induced by Manganese Phthalocyanine Molecules

scientific article published on 26 August 2020

Surface-Guided Formation of an Organocobalt Complex

scientific article published on 05 April 2016

Templating of arrays of Ru nanoclusters by monolayer graphene/Ru Moirés with different periodicities

scientific article published on 20 July 2012

Thermal stability of graphene and nanotube covalent functionalization.

scientific article

Versatile electrification of two-dimensional nanomaterials in water

scientific article published on 10 April 2019

Vibron-assisted spin excitation in a magnetically anisotropic molecule

scientific article published on 01 April 2020

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