- 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.
23 February 2021The new release of theoretical line lists of SF6 is available for simulation of spectrum functions
11 February 2021The new release of theoretical line lists of SF6 is available now
26 October 2020The updated theoretical line list at 296K of 32SF6 is published
9 December 2019The preliminary theoretical line list at 296K of 32SF6 is published
2 July 2019Line lists of molecule NF3 are available for download and spectra simulation