Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Mapping the structural diversity of C60 carbon clusters and their
  infrared spectra   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, calls for further studies on the interplay
between structure and spectroscopy of carbon-based compounds of astrophysical
interest. The recent observation of C60 buckminsterfullerene in space suggests
that carbon clusters of similar size may also be relevant. In the present work,
broad statistical samples of C60 isomers were computationally determined
without any bias using a reactive force field, their IR spectra being
subsequently obtained following local optimization with the
density-functional-based tight-binding theory. Structural analysis reveals four
main structural families identified as cages, planar polycyclic aromatics,
pretzels, and branched. Comparison with available astronomical spectra
indicates that only the cage family could contribute to the plateau observed in
the 6-9 micron region. The present framework shows great promise to explore and
relate structural and spectroscopic features in more diverse and possibly
hydrogenated carbonaceous compounds, in relation with astronomical
observations.

35
The categories of this paper are: mtrl-th
8
The categories of this paper are: hep-ex
33
The categories of this paper are: plasm-ph
18
The categories of this paper are: econ
15
The categories of this paper are: nucl-ex
22
The categories of this paper are: chao-dyn
37
The categories of this paper are: supr-con
19
The categories of this paper are: eess
12
The categories of this paper are: nucl-th
20
The categories of this paper are: acc-phys
31
The categories of this paper are: ao-sci
27
The categories of this paper are: comp-gas
5
The categories of this paper are: gr-qc
24
The categories of this paper are: dg-ga
23
The categories of this paper are: solv-int
17
The categories of this paper are: q-fin