In this thesis accurate predictions for the spectroscopic parameters of l-C3H+ and C4 are made from state-of-the-art electronic structure calculations. Both molecules are of interest to interstellar cloud chemistry and only scarce experimental information about their rovibrational properties is available. Christopher J. Stein recapitulates the basics of the computational methods applied and gives an in-depth description of the computer program developed for the rovibrational calculations.
- ISBN13 9783658148294
- Publish Date 3 August 2016
- Publish Status Active
- Publish Country DE
- Imprint Springer Spektrum
- Edition 1st ed. 2016
- Format Paperback
- Pages 63
- Language English