Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Close-Coupling Time-Dependent Quantum Dynamics Study of the H + HCl
  Reaction   The paper presents a theoretical study of the dynamics of the H + HCl system
on the potential energy surface (PES) of Bian and Werner (Bian, W.; Werner, H.
-J., J. Chem. Phys. 2000, 112, 220). A time-dependent wave packet approach was
employed to calculate state-to-state reaction probabilities for the exchanged
and abstraction channels. The most recent PES for the system has been used in
the calculations. Reaction probabilities have also been calculated for several
values of the total angular momentum J > 0. Those have then been used to
estimate cross sections and rate constants for both channels. The calculated
cross sections can be compared with the results of previous quasiclassical
trajectory calculations and reaction dynamics experimental on the abstraction
channel. In addition, the calculated rate constants are in the reasonably good
agreement with experimental measurement.

25
The categories of this paper are: patt-sol
18
The categories of this paper are: econ
33
The categories of this paper are: plasm-ph
11
The categories of this paper are: hep-lat
4
The categories of this paper are: cond-mat
26
The categories of this paper are: bayes-an
32
The categories of this paper are: atom-ph
31
The categories of this paper are: ao-sci
14
The categories of this paper are: math-ph
12
The categories of this paper are: nucl-th
21
The categories of this paper are: adap-org
2
The categories of this paper are: math
16
The categories of this paper are: stat
36
The categories of this paper are: cmp-lg
30
The categories of this paper are: q-alg
27
The categories of this paper are: comp-gas