Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Hydration of methanol in water. A DFT-based molecular dynamics study   We studied the hydration of a single methanol molecule in aqueous solution by
first-principle DFT-based molecular dynamics simulation. The calculations show
that the local structural and short-time dynamical properties of the water
molecules remain almost unchanged by the presence of the methanol, confirming
the observation from recent experimental structural data for dilute solutions.
We also see, in accordance with this experimental work, a distinct shell of
water molecules that consists of about 15 molecules. We found no evidence for a
strong tangential ordering of the water molecules in the first hydration shell.

24
The categories of this paper are: dg-ga
10
The categories of this paper are: q-bio
28
The categories of this paper are: alg-geom
30
The categories of this paper are: q-alg
31
The categories of this paper are: ao-sci
26
The categories of this paper are: bayes-an
17
The categories of this paper are: q-fin
22
The categories of this paper are: chao-dyn
27
The categories of this paper are: comp-gas
4
The categories of this paper are: cond-mat
2
The categories of this paper are: math
9
The categories of this paper are: nlin
33
The categories of this paper are: plasm-ph
1
The categories of this paper are: cs
32
The categories of this paper are: atom-ph
0
The categories of this paper are: hep-ph