Instruct: Identify the main and secondary category of Arxiv papers based on the titles and abstracts
Query: Ab initio analysis of the x-ray absorption spectrum of the
  myoglobin-carbon monoxide complex: Structure and vibrations   We present a comparison between Fe K-edge x-ray absorption spectra of
carbonmonoxy-myoglobin and its simulation based on density-functional theory
determination of the structure and vibrations and spectral simulation with
multiple-scattering theory. An excellent comparison is obtained for the main
part of the molecular structure without any structural fitting parameters. The
geometry of the CO ligand is reliably determined using a synergic approach to
data analysis. The methodology underlying this approach is expected to be
especially useful in similar situations in which high-resolution data for
structure and vibrations are available.

33
The categories of this paper are: plasm-ph
37
The categories of this paper are: supr-con
11
The categories of this paper are: hep-lat
1
The categories of this paper are: cs
13
The categories of this paper are: quant-ph
9
The categories of this paper are: nlin
25
The categories of this paper are: patt-sol
26
The categories of this paper are: bayes-an
15
The categories of this paper are: nucl-ex
8
The categories of this paper are: hep-ex
7
The categories of this paper are: hep-th
21
The categories of this paper are: adap-org
0
The categories of this paper are: hep-ph
5
The categories of this paper are: gr-qc
29
The categories of this paper are: funct-an
23
The categories of this paper are: solv-int