Publications 2015

1. "CO2 line-mixing database and software update and its tests in the 2.1 µm and 4.3 µm regions", J. Lamouroux, L. Régalia, X. Thomas, J. Vander Auwera, R.R. Gamache, J.-M.Hartmann, Journal of Quantitative Spectroscopy & Radiative Transfer 151(2015)88–96

2. "Temperature dependence of CO2 and ethanol diffusion in Champagne Wines: A joint molecular dynamics and 13C NMR study", D. A. Bonhommeau, A. Perret, J.-M. Nuzillard, C. Cilindre, T. Cours, A. Alijah, et G. Liger-Belair, In Advances in Wine Research, ACS Symposium Series, Chapter 5, pp 69–83 (2015).

DOI: 10.1021/bk-2015-1203.ch005

3. "Ionization balance in Titan's nightside ionosphere", E. Vigren, M. Galand, R.V. Yelle, A. Wellbrock, A.J. Coates, D. Snowden, J. Cui, P. Lavvas, N.J.T. Edberg, O. Shebanits, J.-E. Wahlund, V. Vuitton, K. Mandt, Icarus, Volume 248, p. 539-546.

4. "On the Possibility of Significant Electron Depletion due to Nanograin Charging in the Coma of Comet 67p/churyumov-gerasimenko near Perihelion", E. Vigren, M. Galand, P. Lavvas, A.I. Eriksson, J.-E. Wahlund (2015), The Astrophysical Journal, Volume 798, Issue 2, article id. 130, 9 pp.

5. "H2+ in a weak magnetic field", H. Medel Cobaxin, A. Alijah, J. C. Lopez-Vieyra and A. V Turbiner, J. Phys. B: At. Mol. Opt. Phys., 48(2015)045101, URL :

6. "Dynamics and thermodynamics of decay in charged clusters", M. A. Miller, D. A. Bonhommeau, C. P. Moerland, S. J. Gray, and M.-P. Gaigeot, Mol. Phys. 113:17-18, 2428-2434 (2015)

7. "Chemical messages in 170-year-old champagne bottles from the Baltic Sea: Revealing tastes from the past", P. Jeandet, S. Heinzmann , C. Roullier-Gall, C. Cilindre, A. Aron , M. A. Deville , F. Moritz, T. Karbowiak , D. Demarville, C. Brun, F. Moreau, B. Michalke , G. Liger-Belair , M. Witting , M. Lucio , D. Steyer , R. D. Gougeon , and P. Schmitt-Kopplin, PNAS, 2015

8. "Vibrational states of the triplet electronic state of H3+. The role of non-adiabatic Jahn-Teller coupling", A. ALIJAH et V. KOKOOULINE, Chemical Physics 480, 43-50 (2015) . Special Issue on "Novel Aspects of the Jahn-Teller effect in molecular and solid-state systems” edited by H. Köppel and W. E. Ernst.

9. "Does shaking increase the pressure inside a bottle of champagne?", A. Vreme, B. Pouligny, F. Nadal, G. Liger-Belair J. Colloid Interface Sci., 439, 42-53, 2015. Cet article a été repris dans la section « News » du site internet du JCIS.

10. "The Science of Bubbly", G. Liger-Belair, Sci. Am. (Special Issue: The Science of Food), 16-21, 2015.

11. "Bubble dynamics in various commercial sparkling bottled waters", G. Liger-Belair, F. Sternenberg, S. Brunner, B. Robillard, C. Cilindre, J. Food Engineering, 163, 60-70, 2015.

12. "An efficient method for energy levels calculation using full symmetry and exact kinetic energy operator: Tetrahedral molecules", A. V. Nikitin, M. Rey, and Vl. G. Tyuterev, J Chem Phys, 142, 094118 (2015); doi: 10.1063/1.4913520

13. "First Predictions of Rotationally Resolved Infrared Spectra of Dideuteromethane (12CH2D2) From Potential Energy and Dipole Moment Surfaces", M. Rey, A. V. Nikitin and Vl. G. Tyuterev, J Phys Chem A, (2015) DOI: 10.1021/acs.jpca.5b00587

14. "Strong thermal nonequilibrium in hypersonic CO and CH4 probed by CRDS", M. Louviot, N. Suas-David ,V. Boudon, .R. Georges, M. Rey and S. Kassi , J Chem Phys 142 214305 (2015).

15. “Connecting a new non-adiabatic vibrational mass to the bonding mechanism of LiH: A quantum superposition of ionic and covalent states”, L. G. Diniz, A. Alijah, L. Adamowicz, J. R. Mohallem, Chem. Phys. Lett. 633, 89-94 (2015)

16. "Convergence of normal mode variational calculations of methane spectra: theoretical linelist in the icosad range computed from potential energy and dipole moment surfaces", M. Rey, A. V. Nikitin and Vl. G. Tyuterev, JQSRT 164, 207-220 (2015).

DOI: 10.1016/j.jqsrt.2015.06.009

17. "Application of quasi-degenerate perturbation theory to the calculation of rotational energy levels of methane vibrational polyads", P. Cassam-Chenai, G. Rousseau, A. Ilmane, Y. Bouret, and M. Rey, J. Chem. Phys. 143, 034107 (2015)

18. "Dimensioning IRGA Gas sampling system: lessons from laboratory and field experiments", M. Aubinet, L. Joly, D. Loustau, A. De Ligne, H. Chopin, J. Cousin, N. Chauvin, T. Decarpenterie, Biogeoscience 2015-266

19. "N2 state population in Titan's atmosphere", P.Lavvas, R.V.Yelle, A.Heays, L. Campbell, M.J.Brunger, M.Galand, V. Vuitton, Icarus, 260, 29-59 (2015)

DOI: 10.1016/j.icarus.2015.06.033

20. "Quantized non-adiabatic coupling terms of H3+ ", A. Alijah, J. Fremont, and V. G. Tyuterev, Phys. Rev. A 92,012704 (2015) URL:

21. "Influence of local ionization on ionospheric densities in Titan’s upper atmosphere", Sagnières, L. B. M., M. Galand, J. Cui, P. P. Lavvas, E. Vigren, V. Vuitton,R. V. Yelle, A. Wellbrock, and A. J. Coates (2015), J. Geophys. Res. Space Physics, 120, doi:10.1002/2014JA020890.

22. "Methane high-temperature partition function from contact transformations and variational calculations", A.V. Nikitin, B. M. Krishna, M. Rey, S. A. Tashkun, V. Tyuterev, JQSRT 167 (2015) 53-63

23. "Assignment and modeling of the spectrum of 12CH4 at 80 K between 6539 and 6800 cm-1", A. V. Nikitin, M. Rey, S. A. Tashkun, V. Tyuterev, S. Kassi, D. Mondelain, A. Campargue, JQSRT (2015) Accepted

24."Titan’s surface spectra at the Huygens landing site and Shangri-La", P. Rannou, D. Toledo, P. Lavvas, E. D’Aversa, M.-L. Moriconi, A. Adriani, S. Le Mouélic, C. Sotin and R. Brown, Accepted, Icarus (2015)

25. "Cassini Imaging Science Subsystem observations of Titan’s south polar cloud", R. West, A. Del Genio, J.M. Barbara, D. Toledo, P. Lavvas, P. Rannou, E. Turtle and J. Perry, Accepted, Icarus (2015)

26. "Accurate 12D dipole moment surfaces of ethylene", T. Delahaye, A. V. Nikitin, M. Rey, P. Szalay, V. Tyuterev, Chem. Phys. Letters, (2015) Accepted, doi 10.1016/j.cplett.2015.09.042

27. “NO2 seasonal evolution in the north subtropical free troposphere”, M. Gil-Ojeda , M. Navarro-Comas, L. Gómez-Martín, J. A. Adame, A. Saiz-Lopez, C. A. Cuevas, Y. González, O. Puentedura, E. Cuevas, J.-F. Lamarque, D. Kinninson, and S. Tilmes. Atmos. Chem. Phys., 15, 10567–10579, 2015. doi:10.5194/acp-15-10567-2015.

28. "MCMC2 (version 1.1.1): A Monte Carlo code for multiply charged clusters", D. A. Bonhommeau, Comput. Phys. Commun. 196, 614-616 (2015).

29.”Detection and analysis of three highly excited vibrational bands of 16O3 by CW-CRDS near the dissociation threshold.”, A. Campargue, S. Kassi, D. Mondelain, A. Barbe, E. Starikova, M.-R. De Backer, Vl.G. Tyuterev, Journal of Quantitative Spectroscopy and Radiative Transfer, 152, pp 84-93, (2015).

30. ”CDRS detection and modelling of vibrational bands of 18O3 approaching the dissociation threshold (7400-7920 cm-1)”, E. Starikova, D. Mondelain, A. Barbe, Vl.G. Tyuterev, S. Kassi, A. Campargue, Journal of Quantitative Spectroscopy and Radiative Transfer, 161, pp 203-214, (2015).

31. “An experimental and theoretical study of the kinetics of the reaction between 3-hydroxy-3-methyl-2-butanone and OH radicals”, A.Mano Priya, G. El Dib, L. Senthilkumar, C. Sleiman, A. Tomas, A. Canosa and A. Chakir. RSC Adv., 2015, 5, 26559–2656.

32. “Effects of long term raw pig slurry inputs on nutrient and metal contamination of tropical volcanogenic soils, Uvéa Island (South Pacific)”, Gunkel-Grillon P., Roth E., Laporte-Magoni C., LeMestre M., , Science of the Total Environment 533, 2015, 339–346.

33. “Kinetics of the heterogeneous photo oxidation of the pesticide bupirimate by OH-radicals and ozone under atmospheric conditions”, H. Bouya, M. Errami, A. Chakir, E. Roth. Chemosphere, 134, 301-306 (2015).

34. “UV–visible spectra and gas-phase rate coefficients for the reaction of 2,3-pentanedione and 2,4-pentanedione with OH radicals”, L. Messaadia, G. El Dib, A. Ferhati, A. Chakir. Chemical Physics Letters, 626, 73-79 (2015).

35. “Degradation of Enrofloxacin Antibiotic under Combined Ionizing Radiation and Biological Removal Technologies”, S. Ben Salem, M. Mezni, M. Errami, K.M.Amine, R. Salghi, H. Ali. Ismat, A. Chakir, B. Hammouti, M. Messali, S. Fattouch Int. J. Electrochem. Sci., 10 (2015) 3613 – 3622.