Examining the features distinguishing organic carbon from soot is crucial for understanding
the source, the effect on the environment and their respective role in aerosol chemistry and …

Fullerene C 60 is one of the most iconic forms of carbon found in the interstellar medium
(ISM). The interstellar chemistry of carbon-rich components, including fullerenes, is driven by …

Using our recently suggested concept of quasi-molecule and its generalization, it is shown
how two partially hydrogenated graphenes can be considered planar infinite benzenes …

We present a review of the capabilities of the density functional based Tight Binding (DFTB)
scheme to address the electronic relaxation and dynamical evolution of molecules and …

A new procedure is suggested to improve genetic algorithms for the prediction of structures
of nanoparticles. The strategy focuses on managing the creation of new individuals by …

Recurrent fluorescence (RF) from isolated carbon clusters containing between 24 and 60
atoms is theoretically investigated as a function of internal energy, cluster size, and structural …

Context. The UV bump observed in the interstellar medium extinction curve of galaxies has
been assigned to π→ π⋆ transitions within the sp 2 conjugated network of carbon grains …

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 …

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 …

Context. Very small grains and large hydrocarbon molecules are known to convert a fraction
of the ultraviolet (UV) and visible stellar radiation to near-and mid-infrared (IR) photons via …