Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Conductance switching in a molecular device: the role of sidegroups and
  intermolecular interactio   We report first-principles studies of electronic transport in monolayers of
Tour wires functionalized with different side groups. An analysis of the
scattering states and transmission eigenchannels suggests that the
functionalization does not strongly affect the resonances responsible for
current flow through the monolayer. However, functionalization has a
significant effect on the interactions within the monolayer, so that monolayers
with NO$_2$ side groups exhibit local minima associated with twisted
conformations of the molecules. We use our results to interpret observations of
negative differential resistance and molecular memory in monolayers of NO$_2$
functionalized molecules in terms of a twisting of the central ring induced by
an applied bias potential.

12
The categories of this paper are: nucl-th
19
The categories of this paper are: eess
7
The categories of this paper are: hep-th
23
The categories of this paper are: solv-int
34
The categories of this paper are: chem-ph
13
The categories of this paper are: quant-ph
36
The categories of this paper are: cmp-lg
27
The categories of this paper are: comp-gas
17
The categories of this paper are: q-fin
15
The categories of this paper are: nucl-ex
32
The categories of this paper are: atom-ph
9
The categories of this paper are: nlin
18
The categories of this paper are: econ
21
The categories of this paper are: adap-org
31
The categories of this paper are: ao-sci
2
The categories of this paper are: math