246 citations · 1.4k across the 31 of their papers we have counts for
31 papers
Extracting vibrational anharmonicities from short driven molecular dynamics trajectories
Pascal Parneix, Romain Maupin, Loïse Attal +2
Anharmonicities provide a wealth of information about the vibrational dynamics, mode coupling and energy transfer within a polyatomic system. In this contribution we show how drive…
Finite-temperature stability of hydrocarbons: fullerenes versus flakes
Ariel Francis Perez-Mellor, Pascal Parneix, Florent Calvo +1
The effects of a finite temperature on the equilibrium structures of hydrocarbon molecules are computationally explored as a function of size and relative chemical composition in h…
Laser-induced Coulomb explosion imaging of \ce{(C6H5Br)2} and \ce{C6H5Br-I2} dimers in helium nanodroplets using the Timepix3
Constant Schouder, Adam S. Chatterley, Melby Johny +5
We have deduced the structure of the \ce{bromobenzene}--\ce{I2} heterodimer and the \ce{(bromobenzene)2} homodimer inside helium droplets using a combination of laser-induced align…
Multidimensional thermally-induced transformation of nest-structured complex Au-Fe nanoalloys towards equilibrium
Jacob Johny, Oleg Prymak, Marius Kamp +9
Bimetallic nanoparticles are often superior candidates for a wide range of technological and biomedical applications, thanks to their enhanced catalytic, optical, and magnetic prop…
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,…
Depressions by stacking faults in nanorippled graphene on metals
Georg Daniel Förster, Alexandre Artaud, Estelle Mazaleyrat +9
A broad variety of defects has been observed in two-dimensional materials. Many of these defects can be created by top-down methods such as electron irradiation or chemical etching…