Gilles Frapper

Trends in the Adsorption of 3d Transition Metal Atoms onto Graphene and Nanotube Surfaces: A DFT Study and Molecular Orbital Analysis

Hubert Valencia, Adrià Gil, Gilles Frapper · The Journal of Physical Chemistry C · 2010 · 195 citations

Nanosheet, Engineering, Theoretical Inorganic Chemistry +21

Phase stability, chemical bonding and mechanical properties of titanium nitrides: a first-principles study

Shuyin Yu, Qingfeng Zeng, Artem R. Oganov et al. · Physical Chemistry Chemical Physics · 2015 · 173 citations · Full text

Engineering, Mechanical Engineering, Bulk Modulus +21

Hydration Properties and Interlayer Organization of Water and Ions in Synthetic Na-Smectite with Tetrahedral Layer Charge. Part 2. Toward a Precise Coupling between Molecular Simulations and Diffraction Data

Eric Ferrage, B. A. Sakharov, Laurent J. Michot et al. · The Journal of Physical Chemistry C · 2011 · 159 citations

Engineering, Chemistry, Water-rock Interaction +20

Bi- and Trimetallic σ-Acetylide Complexes Connected through a Phenyl Ring in the Fe(Cp*)(dppe) Series

Tania Weyland, Claude Lapinte, Gilles Frapper et al. · Organometallics · 1997 · 126 citations

Inorganic Chemistry, Chemical Engineering, Phenyl Ring +13

Metal oligo-yne polymers: electronic structures of [-(L)nMC.tplbond.CRC.tplbond.C-]x polymers

Gilles Frapper, Miklós Kertész · Inorganic Chemistry · 1993 · 116 citations

Materials Science, Macromolecular Chemistry, Engineering +12