Publications which use PGOPHER
should cite using one or more of the following:
PGOPHER, A
Program for Simulating Rotational, Vibrational and Electronic
Spectra, C. M. Western, Journal of Quantitative Spectroscopy
and Radiative Transfer, 186 221-242 (2016) doi:10.1016/j.jqsrt.2016.04.010.
The accepted manuscript is
also available.
Automatic Assignment and Fitting of Spectra with PGOPHER.
C. M. Western and B. E. Billinghurst, Physical Chemistry
Chemical Physics, 2017, doi:10.1039/c7cp00266a.
The accepted manuscript is
also available
PGOPHER, A
Program for Simulating Rotational, Vibrational and Electronic
Spectra, C. M. Western, University of Bristol, http://pgopher.chm.bris.ac.uk
The last item provides a permanent link with a digital object
identifier (DOI) to a specific version. Updated versions will have
a new DOI. The previous versions are available from:
In submitting manuscripts, consider submitting one or more of the
following as supplementary information:
The .pgo file(s) used in the
paper. (They are actually text files in XML format, so do not
normally require special handling).
If fitting, the fit log file (from the log window) run with PrintLevel = Detail.
This will ensure all the potentially important additional
information is included, such as the correlation matrix and
matrix elements used. This can be set in the log window, or in
the top level object in the constants window.
Similarly a calculated line list should be
run with PrintLevel
= Detail, or select "Info+Text" if using "File",
"Export".
I would also appreciate being informed of any publications using PGOPHER.
PGOPHER