Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: A QM/MM molecular dynamic simulation and vibrational spectroscopic study
  of 6-azaCytidine and cytidine   The conformational and vibrational properties of 6-azaCytidine (6-azaC) and
Cytidine (Cyt) have been studied in gas phase and aqueous environment. The two
most stable conformers of each molecule have been identified and investigated
in more details. The stability order of the two most stable conformers of both
molecules is changing going from gas phase to solution. The first solvation
shell of both molecules has been studied using QM/MM-MD (Quantum
Mechanics/Molecular Mechanics-Molecular Dynamic) simulations. The Raman
vibrational spectra in gas phase and aqueous solution have been simulated and
compared with the available experimental data. The two molecules exhibit
certain differences reflected in their spectra as a result of structural and
conformational differences.

2
The categories of this paper are: math
1
The categories of this paper are: cs
13
The categories of this paper are: quant-ph
4
The categories of this paper are: cond-mat
33
The categories of this paper are: plasm-ph
20
The categories of this paper are: acc-phys
37
The categories of this paper are: supr-con
16
The categories of this paper are: stat
12
The categories of this paper are: nucl-th
18
The categories of this paper are: econ
17
The categories of this paper are: q-fin
35
The categories of this paper are: mtrl-th
28
The categories of this paper are: alg-geom
25
The categories of this paper are: patt-sol
0
The categories of this paper are: hep-ph
8
The categories of this paper are: hep-ex