- Theoretical aspects of the spectra prediction and simulattion;
- Review of the system functionality;
- Download of predicted line lists represented by the system;
- Simulation of high- or low-resolution spectrum for various physical conditions (temperature, pressure, path length) and simulation parameters (intensity cutoff, contour shape, wing length, resolution, etc);
- Graphical and numerical representation of the results of spectrum simulation;
- Download simulation results on user's computer;
- Store simulation results in user's archive on the server.
Users of the TheoReTS Information System agree to reference it in scientific publications, presentations and communications if the system is useful for their investigations.
The registration in the system is free. Just click the button "New user" in the user login form and fill in the requested fields.
- Conception of the system , line lists with mixed “ab initio / effective” model : Vladimir Tyuterev (URCA);
- Models of Potential Energy Surfaces (PES) and Dipole Moment Surfaces (DMS) used for spectra prediction: Andrei Nikitin (TSU,IAO);
- Variational calculations, predicted lists of spectral lines: Michael Rey (URCA);
- System design, functionality, bugs: Yury Babikov (TSU,IAO).
Other sites of the portal on molecular spectroscopyNote. If you are reigstered in Hitran on the Web Information system you can use it's username and password to log in TheoReTS.
7 May 2018"Hybrid" line lists for of 12CF4 in temperature range 80-300K are available for download and spectra simulation
12 December 2017"Hybrid" line lists for of 12CH4 in temperature range 80-2000K are available for download and spectra simulation
18 November 2017New line lists for some isotopologues of molecule CH4 at T=80K and T=296K are available for download and spectra simulation
19 September 2017New line lists of molecule GeH4 are available for download and spectra simulation
15 February 2016The 24th International Conference on High Resolution Molecular Spectroscopy will be held on August 30th - September 3rd 2016 in Prague, Czech Republic.