The partition sum of methane at high temperature

Journal of Quantitative Spectroscopy and Radiative Transfer

Volumn 109, Issue 16, 2008, Pages 2697-2706

  Wenger, Ch ^a   Champion, J P ^a   Boudon, V ^a  

^a UNIVERSITÉ DE BOURGOGNE   (France)

Author keywords

Computational spectroscopy; Methane; Partition sum; Rovibrational spectroscopy; Spectroscopic databases

Indexed keywords

COMPUTER NETWORKS;

COMPUTATIONAL SPECTROSCOPY; HIGH TEMPERATURE; PARTITION SUM; ROVIBRATIONAL SPECTROSCOPY; SPECTROSCOPIC DATABASES;

METHANE;

ATOMIC ABSORPTION SPECTROSCOPY; DATABASE; EQUATION OF STATE; HIGH TEMPERATURE; METHANE; PARTITION COEFFICIENT; THERMODYNAMICS;

EID: 50949118649     PISSN: 00224073     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jqsrt.2008.06.006     Document Type: Article

References (19)

1. Wiedemann G., Deming D., and Bjoraker G. A sensitive search for methane in the infrared spectrum of tau bootis. Astrophys J 546 (2001) 1068-1074
2. 4 at 23 μ m. Astron Astrophys 358 (2000) L33-L36
3. Swain M.R., Vasisht G., and Tinetti G. The presence of methane in the atmosphere of an extrasolar planet. Nature 452 (2008) 329-331
4. Goldman A., Gamache R.R., Perrin A., Flaud J.M., Rinsland C.P., and Rothman L.S. Hitran partition functions and weighted transition-moments squared. JQSRT 66 (2000) 455-486
5. Fischer J., Gamache R.R., Goldman A., Rothman L.S., and Perrin A. Total internal partition sums for molecular species in the 2000 edition of the hitran database. JQSRT 82 (2003) 401-412
6. McDowell R.S. Rotational partition-functions for spherical-top molecules. JQSRT 38 (1987) 337-346
7. Rothman L.S., Jacquemart D., Barbe A., Benner D.C., Birk M., Brown L.R., et al. The hitran 2004 molecular spectroscopic database. JQSRT 96 (2005) 139-204
8. Chakraborty A., Truhlar D.G., Bowman J.M., and Carter S. Calculation of converged rovibrational energies and partition function for methane using vibrational-rotational configuration interaction. J Chem Phys 121 (2004) 2071-2084
9. Thievin J., Georges R., Carles S., Abdessamad B., Rowe B., and Champion J.P. High temperature emission spectroscopy of methane. JQSRT 109 (2008) 2027-2036
10. Champion J.P., Loete M., and Pierre G. Spherical top spectra. In: Rao K., and Weber A. (Eds). Spectroscopy of the Earth's atmosphere and interstellar medium (1992), Columbus, Academic Press Inc. 339-422
11. Boudon V., Champion J.P., Gabard T., Loete M., Michelot F., Pierre G., et al. Symmetry-adapted tensorial formalism to model rovibrational and rovibronic spectra of molecules pertaining to various point groups. J Mol Spectrosc 228 (2004) 620-634
12. 4. Can J Phys 55 (1977) 1802-1828
13. Berger H. Classification of energy levels for polyatomic molecules. J Phys 38 (1977) 1371-1375
14. Wenger C., and Champion J.P. STDS spherical top data system. A software for the simulation of spherical top spectra. JQSRT 59 (1998) 471-480
15. - 1 region. In: 61st international symposium on molecular spectroscopy, Columbus, Ohio; 2006 〈http://hdl.handle.net/1811/30962〉 and paper to appear.
16. Borysov A., Champion J.P., Jorgensen U.G., and Wenger C. Towards simulation of high temperature methane spectra. Mol Phys 100 (2002) 3585-3594
17. Bancewicz M. The derivation of the characteristic function and the spectral density distribution of a hamiltonian of n-coupled morse oscillators. Int J Quantum Chem 102 (2005) 31-37
18. Gribov L.A., Novakov I.A., Pavlyuchko A.I., and Shumovskii O.Y. Spectroscopic calculation of the bond-dissociation energy of CH bonds in fluoro derivatives of methane, ethane, ethene, propene, and benzene. J Struct Chem 48 (2007) 400-406
19. Sadovskii D.A., and Zhilinskii B.I. Counting levels within vibrational polyads: generating function approach. J Chem Phys 103 (1995) 10520-10536