Knowledge Tree

researcher / Marie-Pierre Gaigeot

Marie-Pierre Gaigeot

at_id:

orcid_id:

Disciplines:

Chemistry

Computer sciences

Edit Merge See Links

Directed Thesis:

Reactivity at aqueous interfaces by DFT-MD simulations

Oxygen evolution reaction at cobalt oxides/water interfaces : heterogeneous electrocatalysis by DFT-MD simulations & metadynamics

DFT-MD simulations of aluminium oxide/liquid water interfaces for heterogeneous catalysis

DFT-MD simulations and theoretical SFG spectroscopy to characterize H-Bonded networks at aqueous interfaces : from hydrophobic to hydrophilic environments

Caractérisation de structures explorées dans les simulations de dynamique moléculaire.

Far infrared/Tera-Hertz spectroscopy in the gas phase : experiments and theory

Vibrational excitation of molecules in the gas phase or embedded in matrices by ab initio molecular dynamics

Ab initio molecular dynamics study of ion and pH effects at silica/liquid water interfaces : structure, acid-base reactivity and vibrational spectroscopy

Contribution à la compréhension des réactions ion gaz dans les cellules de collision-réaction des ICP-MS : application à la résolution d'interférences isobariques et poly-atomiques

Fragmentation dynamics of biomolecules in gas phase and water environment