Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Molecular Orientation and Surface Site Dependence of the Dissociative
  Adsorption of O$_{2}$/Al(111)   We reproduced the initial sticking probability of O$_{2}$/Al(111) by use of
spin-polarized density functional theory and quantum dynamics calculations. We
found a large activation barrier when the molecule is dissociatively adsorbed
through $abstraction$ on the top site unlike on the hollow and bridge sites.
This barrier is sensitive to the molecular orientation and surface site. The
vibrational motion of the molecule facilitates the abstraction due to the $late
barrier$. Finally, we suggest a possibility on how widely separated oxygen
atoms adsorbed on the surface could be realized.

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The categories of this paper are: econ
21
The categories of this paper are: adap-org
1
The categories of this paper are: cs
16
The categories of this paper are: stat
19
The categories of this paper are: eess
5
The categories of this paper are: gr-qc
13
The categories of this paper are: quant-ph
31
The categories of this paper are: ao-sci
8
The categories of this paper are: hep-ex
35
The categories of this paper are: mtrl-th
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The categories of this paper are: nucl-th
6
The categories of this paper are: astro-ph
29
The categories of this paper are: funct-an
2
The categories of this paper are: math
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The categories of this paper are: dg-ga
0
The categories of this paper are: hep-ph