Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Vibronic effects in single molecule conductance: First-principles
  description and application to benezenealkanethiolates between gold
  electrodes   The effect of vibrational motion on resonant charge transport through single
molecule junctions is investigated. The study is based on a combination of
first-principles electronic structure calculations to characterize the system
and inelastic scattering theory to calculate transport properties. The
extension of the methodology to describe hole transport through occupied
molecular orbitals is discussed. The methodology is applied to molecular
junctions where a benzene molecule is connected via alkanethiolate bridges to
two gold electrodes. The results demonstrate that, depending on the coupling
between the electronic $\pi$-system of the benzene ring and the gold
electrodes, vibronic coupling may have a significant influence on the transport
properties of the molecular junction.

9
The categories of this paper are: nlin
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The categories of this paper are: chem-ph
10
The categories of this paper are: q-bio
2
The categories of this paper are: math
12
The categories of this paper are: nucl-th
5
The categories of this paper are: gr-qc
27
The categories of this paper are: comp-gas
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The categories of this paper are: q-fin
22
The categories of this paper are: chao-dyn
32
The categories of this paper are: atom-ph
20
The categories of this paper are: acc-phys
6
The categories of this paper are: astro-ph
31
The categories of this paper are: ao-sci
13
The categories of this paper are: quant-ph
28
The categories of this paper are: alg-geom
21
The categories of this paper are: adap-org