Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Intermolecular orientations in liquid acetonitrile: new insights based
  on diffraction measurements and all-atom simulations   Intermolecular correlations in liquid acetonitrile (CH3CN) have been
revisited by calculating orientational correlation functions. In the present
approach, hydrogen atoms are included, so that a concept applicable for
molecules of (nearly) tetrahedral shape can be exploited. In this way molecular
arrangements are elucidated not only for closest neighbours but also extending
well beyond the first coordination sphere. Thus a complementary viewpoint is
provided to the more popular dipole-dipole correlations. Our calculations are
based on large structural models that were obtained by applying diffraction
data and partial radial distribution functions from potential-based (all-atom)
molecular dynamics simulation simultaneously, within the framework of the
Reverse Monte Carlo method.

31
The categories of this paper are: ao-sci
5
The categories of this paper are: gr-qc
2
The categories of this paper are: math
8
The categories of this paper are: hep-ex
23
The categories of this paper are: solv-int
10
The categories of this paper are: q-bio
18
The categories of this paper are: econ
9
The categories of this paper are: nlin
30
The categories of this paper are: q-alg
14
The categories of this paper are: math-ph
12
The categories of this paper are: nucl-th
17
The categories of this paper are: q-fin
13
The categories of this paper are: quant-ph
25
The categories of this paper are: patt-sol
20
The categories of this paper are: acc-phys
0
The categories of this paper are: hep-ph