31 citations · 196 across the 12 of their papers we have counts for
12 papers
Hydrogenation of C carbon clusters : structural diversity and energetic properties
Paula Pla, Clément Dubosq, Mathias Rapacioli +3
This work aims at exploring the potential energy surfaces of CH{n=0,6,12,18,24} up to 20-25\,eV using the genetic algorithm in combination with the density functional ba…
Impact of metals on (star)dust chemistry: a laboratory astrophysics approach
Rémi Bérard, Kremena Makasheva, Karine Demyk +5
Laboratory experiments are essential in exploring the mechanisms involved in stardust formation. One key question is how a metal is incorporated into dust for an environment rich i…
The structure of 1,3-butadiene clusters
J. Douady, A. Simon, M. Rapacioli +3
Molecular clusters of 1,3-butadiene were theoretically investigated using a variety of approaches, encompassing classical force fields and different quantum chemical (QC) methods,…
Electronic excited states of benzene in interaction with water clusters : influence of structure and size
Nadia Ben Amor, Eric Michoulier, Aude Simon
This work is dedicated to the theoretical investigation of the influence of water clusters' organisation and size on the electronic spectrum of an interacting benzene (Bz) molecule…
Perturbation of the Surface of Amorphous Solid Water by the Adsorption of Polycyclic Aromatic Hydrocarbons
E Michoulier, C Toubin, A Simon +3
This joint theoretical and experimental study establishes that the adsorption of polycyclic aromatic hydrocarbons (PAHs) onto the amorphous ice surface provokes a broadening and re…
Mapping the structural diversity of C60 carbon clusters and their infrared spectra
C. Dubosq, C. Falvo, F. Calvo +4
The current debate about the nature of the carbonaceous material carrying the infrared (IR) emission spectra of planetary and proto-planetary nebulae, including the broad plateaus,…