pgopher.chm.bris.ac.uk

PGOPHER

A program for rotational, vibrational and electronic spectra. Laser Chemistry, Spectroscopy and Dynamics Group Home Page. Loading .pgo files from older versions will set the eigenvalue number columns (labelled #) in the line list window to a negative number if they were saved as blank. This will give an error message on fitting; simply clear the relevant entries or use a development version. Paper describing Automatic Fitting. C M Western and B. E. Billinghurst, Physical Chemistry Chemical Physics. Files...

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PGOPHER | pgopher.chm.bris.ac.uk Reviews

<META> DESCRIPTION

A program for rotational, vibrational and electronic spectra. Laser Chemistry, Spectroscopy and Dynamics Group Home Page. Loading .pgo files from older versions will set the eigenvalue number columns (labelled #) in the line list window to a negative number if they were saved as blank. This will give an error message on fitting; simply clear the relevant entries or use a development version. Paper describing Automatic Fitting. C M Western and B. E. Billinghurst, Physical Chemistry Chemical Physics. Files...

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1 pgopher

2 dr colin western

3 the program

4 introduction

5 help and support

6 download

7 getting started

8 release notes

9 online documentation

10 development versions

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PGOPHER | pgopher.chm.bris.ac.uk Reviews

https://pgopher.chm.bris.ac.uk

A program for rotational, vibrational and electronic spectra. Laser Chemistry, Spectroscopy and Dynamics Group Home Page. Loading .pgo files from older versions will set the eigenvalue number columns (labelled #) in the line list window to a negative number if they were saved as blank. This will give an error message on fitting; simply clear the relevant entries or use a development version. Paper describing Automatic Fitting. C M Western and B. E. Billinghurst, Physical Chemistry Chemical Physics. Files...

INTERNAL PAGES

pgopher.chm.bris.ac.uk

1

Force Field Analysis

http://pgopher.chm.bris.ac.uk/Help/forcefieldanalysis.htm

Can do a traditional force field analysis, calculating vibrational frequencies, the l. Also performs similar calculations. The force field can be expressed in terms of valence or symmetry coordinates. A typical analysis will include several isotopologues and might have a data file structured something like this:. Note the various single and multiple objects:. A single Global Variables object. Which contains geometric variables and force constants common to all isotopologues. The current version of the pr...

2

Index of /download

http://pgopher.chm.bris.ac.uk/download

Pgopher help v9.1.101.zip. Pgopher source v9.1.100.zip. Apache/2.2.3 (Scientific Linux) Server at pgopher.chm.bris.ac.uk Port 80.

3

Using HITRAN Files

http://pgopher.chm.bris.ac.uk/Help/hitran.htm

Line lists in .par format from the HITRAN. Database (or line listings with the same format) are understood by. And can be used in several different ways. At its simplest, the line positions and intensities can be overlaid as an "experimental" spectrum in an overlay. But the files can also be used as input to line position or intensity fits (. 139 (2005). The extension is typically. Select .par (160 chars) as the output format. (Alternative output formats may be handled by future versions.). Option is set...

4

Acknowledgments

http://pgopher.chm.bris.ac.uk/Help/ack.htm

The current version of PGOPHER. Is the product of many years research in the general area of spectroscopy. During that time my work has mainly been funded by the Engineering and Physical Sciences Research Council (EPSRC). And (in the early stages) by The Royal Society. Make use of the. In addition the following components are used are used in some Windows versions of the program, or have been used as a base for some code:. Pngdelphi by Gustavo Huffenbacher Daud: http:/ pngdelphi.sourceforge.net. TdfsMRUF...

5

Custom Population Functions

http://pgopher.chm.bris.ac.uk/Help/custompopulationfunction.htm

As an alternative to the built in Boltzmann population distributions, or specifying a population for each state individually (see Non-Boltzmann Populations. A function can be given in terms of various standard state properties instead. This is done by creating a "Custom Population Function" object under the appropriate Manifold object. The standard mathematical operators are available, and possible functions might include:. The standard Boltzmann equation. PGOPHER. Are set to their default values (-1).

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bristoldynamics.com

Resources | Laser Chemistry, Spectroscopy & Dynamics Group

http://www.bristoldynamics.com/resources

Laser Chemistry, Spectroscopy and Dynamics Group. Where past group members are now. Diamond Chemical Vapour Deposition. Laser Ablation and Nanostructures. Laser Spectroscopy and PGOPHER. News & Events. Laser Chemistry, Spectroscopy. Bristol BS8 1TS, UK. 44 (0) 117 928 7672. Directions and large map. Zip file that includes Executable*, source code, and user manual). The free LABview2013 Runtime Engine. Is required to run KOALA.exe on your computer if you do not have LABview 2013 installed. 064104 (2014)&#...

dynamics.eps.hw.ac.uk

Chemical Dynamics: Links

http://dynamics.eps.hw.ac.uk/Links.php

We work with many other academics on our projects, here you can find links to some of them and their research activities. Montana State University, USA). Queen Mary University of London, UK). Howard University, USA). Sandia National Laboratory, USA). Johns Hopkins, USA). Brookhaven National Laboratory, USA). The NIST Chemistry WebBook. Provides users with easy access to chemical and physical property data for chemical species through the internet. Journal of the American Chemical Society.

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pgopher.chm.bris.ac.uk

PGOPHER

A program for rotational, vibrational and electronic spectra. Laser Chemistry, Spectroscopy and Dynamics Group Home Page. Loading .pgo files from older versions will set the eigenvalue number columns (labelled #) in the line list window to a negative number if they were saved as blank. This will give an error message on fitting; simply clear the relevant entries or use a development version. Paper describing Automatic Fitting. C M Western and B. E. Billinghurst, Physical Chemistry Chemical Physics. Files...

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