Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Formation of Cyanoformaldehyde in the interstellar space   Cyanoformaldehyde (HCOCN) molecule has recently been suspected towards the
Sagittarius B2(N) by the Green Bank telescope, though a confirmation of this
observation has not yet been made. In and around a star forming region, this
molecule could be formed by the exothermic reaction between two abundant
interstellar species, H2CO and CN. Till date, the reaction rate coefficient for
the formation of this molecule is unknown. Educated guesses were used to
explain the abundance of this molecule by chemical modeling. In this paper, we
carried out quantum chemical calculations to find out empirical rate
coefficients for the formation of HCOCN and different chemical properties
during the formation of HCOCN molecules. Though HCOCN is stable against
unimolecular decomposition, this gas phase molecule could be destroyed by many
other means, like: ion-molecular reactions or by the effect of cosmic rays.
Ion-molecular reaction rates are computed by using the capture theories. We
have also included the obtained rate coefficients into our large gas-grain
chemical network to study the chemical evolution of these species in various
interstellar conditions. Formation of one of the isotopologue(DCOCN) of HCOCN
is also studied. Our study predicts the possibility of finding HCOCN and DCOCN
in the ice phase with a reasonably high abundance. In order to detect HCOCN or
DCOCN in various interstellar environments, it is necessary to know the
spectroscopic properties of these molecules. To this effect, we carried out
quantum chemical calculations to find out different spectral parameters of
HCOCN for the transition in electronic, infrared and rotational modes. We
clearly show how the isotopic substitution (DCOCN) plays a part in the
vibrational progressions of HCOCN.

30
The categories of this paper are: q-alg
4
The categories of this paper are: cond-mat
36
The categories of this paper are: cmp-lg
19
The categories of this paper are: eess
13
The categories of this paper are: quant-ph
15
The categories of this paper are: nucl-ex
0
The categories of this paper are: hep-ph
29
The categories of this paper are: funct-an
12
The categories of this paper are: nucl-th
1
The categories of this paper are: cs
28
The categories of this paper are: alg-geom
17
The categories of this paper are: q-fin
16
The categories of this paper are: stat
20
The categories of this paper are: acc-phys
27
The categories of this paper are: comp-gas
37
The categories of this paper are: supr-con