THE USE OF CAAARS (Computer Aided Assignment of Asymmetric Rotor Spectra ) IN THE ANALYSIS OF ROTATIONAL SPECTRA. (CAAARS) Ivan R. Medvedev , Manfred Winnewisser, Brenda P. Winnewisser, Frank C. Delucia And Eric Herbst Department of Physics, The Ohio State University, Columbus, OH 43210
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THE USE OF CAAARS (Computer Aided Assignment of Asymmetric Rotor Spectra ) IN THE ANALYSIS OF ROTATIONAL SPECTRA. (CAAARS) Ivan R. Medvedev, Manfred Winnewisser,
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THE USE OF CAAARS (Computer Aided Assignment of Asymmetric Rotor Spectra ) IN THE ANALYSIS OF
ROTATIONAL SPECTRA.
(CAAARS)
Ivan R. Medvedev, Manfred Winnewisser, Brenda P. Winnewisser, Frank C. Delucia And Eric Herbst Department
of Physics, The Ohio State University, Columbus, OH 43210
Computer Aided Assignment of Asymmetric Rotor Spectra (CAAARS)
Journal of Molecular Structure, 742, 1-3, 229http://www.physics.ohio-state.edu/~medvedev/caaars.htm
Computer Aided Assignment of Asymmetric Rotor Spectra (CAAARS)
assignment window
Branch selection
Branch selection
Loomis-Wood diagram
Loomis-Wood diagram
Spectral assignment
Spectral assignment
Execution of the Fitting and Prediction Programs
Execution of the Fitting and Prediction Programs
Loading of the New Predictions
Loading of the New Predictions
Features of CAAARS Point and click approach to line assignment
The flexible sorting principle makes CAAARS applicable to a wide range of spectroscopic problems
The organization of the predicted and assigned lines into branches allows the user to plot easily Fortrat diagrams, intensity plots, R- or P-branch clusters, (Ka or Kc vs. frequency for a given J), errors, reduced energy plots, perturbed branch behavior, and whatever else is found useful for a given spectrum.
Assignment capabilities of CAAARS are enhanced with Loomis-Wood representation of spectra
Journal of Molecular Structure, 742, 1-3, 229http://www.physics.ohio-state.edu/~medvedev/caaars.htm