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Molecular collisions : State-of-the-art calculations of inelastic collisions

Published online by Cambridge University Press:  01 February 2008

Laurent Wiesenfeld ,
Alexandre Faure ,
Nicolas Troscompt ,
Michael Wernli ,
Cecilia Ceccarelli  and
Pierre Valiron
Laurent Wiesenfeld
Affiliation:
Laboratoire d'Astrophysique de Grenoble, UMR CNRS 5571, Université Joseph-Fourier Grenoble, France email: [email protected]
Alexandre Faure
Affiliation:
Laboratoire d'Astrophysique de Grenoble, UMR CNRS 5571, Université Joseph-Fourier Grenoble, France email: [email protected]
Nicolas Troscompt
Affiliation:
Laboratoire d'Astrophysique de Grenoble, UMR CNRS 5571, Université Joseph-Fourier Grenoble, France email: [email protected]
Michael Wernli
Affiliation:
Laboratoire d'Astrophysique de Grenoble, UMR CNRS 5571, Université Joseph-Fourier Grenoble, France email: [email protected] Dipartimento di Chimica, La Sapienza, University of Rome, P. le A. Moro 5, Italy
Cecilia Ceccarelli
Affiliation:
Laboratoire d'Astrophysique de Grenoble, UMR CNRS 5571, Université Joseph-Fourier Grenoble, France email: [email protected]
Pierre Valiron
Affiliation:
Laboratoire d'Astrophysique de Grenoble, UMR CNRS 5571, Université Joseph-Fourier Grenoble, France email: [email protected]
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Abstract

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We set up a framework for calculating in a precise and controlled way the collisional properties of several molecules of astrophysical meaning. The quantities that are relevant for astrophysics are rotational and vibrational quenching/excitation rates by means of collisions of H2 with water and some organic molecules (HC3N, H2CO). We calculate those rates by means of successively determining a intermolecular potential energy surface and calculating inelastic cross sections and rates classically and/or quantum mechanically. These calculations are part of the European Union FP6 Molecular Universe program.

Keywords

Astrochemistrymolecular data
Type
Contributed Papers
Information
Proceedings of the International Astronomical Union , Volume 4 , Symposium S251: Organic Matter in Space , February 2008 , pp. 141 - 142
Copyright
Copyright © International Astronomical Union 2008

References

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