Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Electronic transport properties of indolyl
  spirooxazine/merooxazine-based light-driven molecular switch: The effect of
  amino/nitro substituents   By applying non-equilibrium Green's function formulation combined with
first-principles density functional theory,we explore the electronic transport
properties of indolinospironaphthoxazine (SO)/indolinomeronaphthoxazine
(MO).The results indicate that the MO allows a far larger current than the
SO.The substituent group can cause the shift of the energy levels.Higher ON/OFF
current ratio can be obtained if either amino or nitro substituent is placed at
the position of naphthalene moiety.Our results suggest that such molecular
wires can generally display perfect switching function and the efficiency can
be tuned flexibly by adding certain substituent groups to the molecules.

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The categories of this paper are: supr-con
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The categories of this paper are: hep-ph
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The categories of this paper are: cs
11
The categories of this paper are: hep-lat
3
The categories of this paper are: physics
5
The categories of this paper are: gr-qc
7
The categories of this paper are: hep-th
24
The categories of this paper are: dg-ga
34
The categories of this paper are: chem-ph
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The categories of this paper are: ao-sci
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The categories of this paper are: q-fin
28
The categories of this paper are: alg-geom
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The categories of this paper are: cmp-lg
20
The categories of this paper are: acc-phys
26
The categories of this paper are: bayes-an
23
The categories of this paper are: solv-int