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Temperature effects on the infrared spectrum of molecules in planetary nebulae

Published online by Cambridge University Press:  08 August 2017

Tao Chen ,
Cameron Mackie  and
Alexander G. G. M. Tielens
Tao Chen
Affiliation:
Department of Theoretical Chemistry and Biology, School of Biotechnology, Royal Institute of Technology, 10691, Stockholm, Sweden email: [email protected] Leiden University, Leiden Observatory, Niels Bohrweg 2, NL-2333 CA Leiden, Netherlands
Cameron Mackie
Affiliation:
Leiden University, Leiden Observatory, Niels Bohrweg 2, NL-2333 CA Leiden, Netherlands
Alexander G. G. M. Tielens
Affiliation:
Leiden University, Leiden Observatory, Niels Bohrweg 2, NL-2333 CA Leiden, Netherlands
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Abstract

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In this work, we utilize a method based on Wang-Landau Monte Carlo sampling for studying the temperature effects of astrophysically relavant molecules. Anharmonic effects, e.g., resonances, overtones, and combination bands, are fully incoportated in this method. The calculated infrared (IR) spectra are consistent with the experimental data measured by National Institute of Standards and Technology (NIST).

Keywords

PAHmoleculeinfraredtemperatureanharmonicspectrum
Type
Contributed Papers
Information
Proceedings of the International Astronomical Union , Volume 12 , Symposium S323: Planetary Nebulae: Multi-Wavelength Probes of Stellar and Galactic Evolution , October 2016 , pp. 357 - 358
Copyright
Copyright © International Astronomical Union 2017 

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