Conferences

Research Related

The Laboratory for Laser Spectroscopy and Atmospheric Sensing at the University of Alberta.

Zbigniew Kisiel has written, collected, documented, and made available numerous Programs for ROtational SPEctroscopy, PROSPE. A repertory for every high resolution spectroscopist!

What You always wanted to know about Herb Pickett’s spectroscopy programs but were afraid to ask
Helpful hints given by Holger S. P. Müller

There are several molecular spectroscopy online databases available. Good starting points are the following:
- The Molecular Spectroscopy Page of the Jet Propulsion Laboratory (JPL) at the California Institute of Technology
- The Cologne Database for Molecular Spectroscopy, CDMS.
- Eizi Hirota’s High Resolution Molecular Spectroscopy Database convinces by its extent.
- Toshiaki Okabayashi's Home Page for Microwavers.
- The Molecular Spectroscopic Constants Database of the Japanese National Institute of Advanced Industrial Science and Technology. It comprises only a few years, though.
- The Computational Chemistry Comparison and Benchmark DataBase CCCBDB. It is a good complement of NIST’s the more general Chemistry WebBook
MOLPRO is an ab initio program package for molecular electronic structure calculations, designed and maintained by H.-J. Werner and P. J. Knowles. We are using this program suite for our ab initio calculations of potential energy surfaces, geometry optimisations, etc.

The Environmental Molecular Sciences Laboratory (EMSL) offers a EMSL Gaussian Basis Set Order Form where basis sets for ab initio calculations can be ordered.
The National Institute of Standards and Technology, NIST, provides spectroscopic and molecular data in its Physical Reference Data section. Internationally recommended values for the fundamental physical constants can be found in CODATA.