Publications 2014

1."MDMC2 : A molecular dynamics code for investigating the fragmentation dynamics of multiply charged clusters", D. A. Bonhommeau et M.-P. Gaigeot, Comput. Phys. Commun. 185, 684-694 (2014).

2. "Heterogeneous oxidation of folpet and dimethomorph by OH radicals : A kinetic and mechanistic study", Al Rashidi, M.J., Chakir, A., Roth, E., Atmospheric Environment 82 (2014) 164-171.

3. “Proteomic insights into changes in wood of Vitis vinifera L. in response to esca proper and apoplexy”, M. Magnin-Robert, A. Spagnolo, T. D. Alayi, C. Cilindre, L. Mercier, C. Schaeffer-Reiss, A. Van Dorsselaer, C. Clément, F. Fontaine, Phytopathologia Mediterranea, 2014, 53(1): 168-187

4. "CO2 diffusion in Champagne wines : A molecular dynamics study", A. Perret, D. A. Bonhommeau, G. Liger-Belair, T. Cours, and A. Alijah, J. Phys. Chem. B 118, 1839-1847 (2014).

5."MCMC2 (version 1.1) : A Monte Carlo code for multiply-charged clusters", D. A. Bonhommeau, M. Lewerenz, and M.-P. Gaigeot, Comput. Phys. Commun. 185, 1188-1191 (2014).

6."Modeling cloud microphysics using a two-moments hybrid bulk/bin scheme for use in Titan’s climate models : Application to the annual and diurnal cycles", J. Burgalat, P. Rannou, T. Cours, E.D. Rivière, Icarus 231 (2014), PP310-322

7. "Challenges in the design and fabrication of a lab-on-a-chip photoacoustic gas sensor", A. Glière, J. Rouxel, M. Brun, B. Parvitte, V. Zeninari, S. Nicoletti, Sensors, 14, 1, pp. 957-974 (2014), doi:http://dx.doi.org/10.3390/s140100957

8. "Development of an external-cavity quantum cascade laser spectrometer at 7,5 µm and applications to gas detection", D. Mammez, R. Vallon, B. Parvitte, M.H. Mammez, M. Carras, V. Zeninari, Applied Physics B, XX, X, pp. XX-XX (2014), doi:http://dx.doi.org/10.1007/s00340-014-5782-5

9. "QED corrections for H3+", L. Lodi, O. L. Polyansky, J. Tennyson, A. Alijah, and N. F. Zobov, Phys. Rev. A 89, 032505 (2014), DOI: 10.1103/PhysRevA.89.032505, http://link.aps.org/doi/10.1103/PhysRevA.89.032505

10. "Impact of raw pig slurry and pig farming practices on physico-chemical parameters and on atmospheric N2O and CH4 emissions from tropical soils, Uvéa Island (South Pacific)", E. Roth, P. Gunkel-Grillon, L. Joly , X. Thomas, T. Decarpenterie, I. Mappe-Fogaing, C. Laporte-Magoni, N. Dumelié, G. Durry, Environmental Science and Pollution Research, In Press.

11. “Measurements and modeling of long-path 12CH4 spectra in the 4800-5300 cm-1 region”, Nikitin, A. V., Thomas, X., Régalia, L., Daumont, L., Rey, M., Tashkun, S. A., . . . Brown, L. R. (2014). Journal of Quantitative Spectroscopy and Radiative Transfer, 138, 116-123.

12. “IUPAC critical evaluation of the rotational-vibrational spectra of water vapor. part IV. energy levels and transition wavenumbers for D216O, D217O, and D218O”, Tennyson, J., Bernath, P. F., Brown, L. R., Campargue, A., Császár, A. G., Daumont, L., Vasilenko, I. A. (2014) Journal of Quantitative Spectroscopy and Radiative Transfer, 142, 93-108.

13. “A database of water transitions from experiment and theory (IUPAC technical report)”, Tennyson, J., Bernath, P. F., Brown, L. R., Campargue, A., Császár, A. G., Daumont, L., . . . Zobov, N. F. (2014) Pure and Applied Chemistry, 86(1), 71-83.

14. “S&MPO – An information system for ozone spectroscopy on the WEB”, Y. L.Babikov, S. N.Mikhailenko, A. Barbe, V. G.Tyuterev, Journal of Quantitative Spectroscopy & RadiativeTransfer 145 (2014) 169 – 196

15. "The AquaVIT-1 intercomparison of atmospheric water vapor measurement techniques", D. W. Fahey, R.-S. Gao, O. Möhler, H. Saathoff, C. Schiller, V. Ebert, M. Krämer, T. Peter, N. Amarouche, L. M. Avallone, R. Bauer, Z. Bozóki, L. E. Christensen, S. M. Davis G. Durry, C. Dyroff, R. L. Herman, S. Hunsmann, S. M. Khaykin, P. Mackrodt, J. Meyer, J. B. Smith, N. Spelten, R. F. Troy, H. Vömel, S. Wagner, and F. G. Wienhold, Atmos. Meas. Tech. Discuss, 7, pp.3159-3251, 2014.

16. "Impact of tropical land convection on the water vapour budget in the tropical tropopause layer", Carminati F., Ricaud P., Pommereau J.-P., Rivière E., Khaykin S., Attié J.-L., and Warner J., Atmos. Chem. Phys., 14, 6195-6211, doi:10.5194/acp-14-6195-2014, 2014 (http://www.atmos-chem-phys.net/14/6195/2014/acp-14-6195-2014.pdf)

17. " The Renner Teller effect observed in the A 2A1 and X 2B1 electronic states of H2S+ ", G. Duxbury, Ch. Jungen, A. Alijah, J.P. Maier and D. Klapstein, Molecular Physics, 112, 3072-3084 (2014), DOI: 10.1080/00268976.2014.931602.

18. “Increasing Positive Ion Number Densities below the Peak of Ion-Electron Pair Production in Titan's Ionosphere”, Vigren, E., Galand, M., Shebanits, O., Wahlund, J.-E., Geppert, W.D., Lavvas, P., Vuitton, V., Yelle, R.V., 2014., Ap.J., 786, 69,5.

19. “Thermal escape for extrasolar giant planets”, Koskinen, T., Lavvas, P., Harris, M.J., R.V. Yelle, 2014. Phil. Trans. R. Soc. A 372: 20130089

20. “Titan’s emission processes during eclipse”, Lavvas, P., West, R.A., Gronoff, G., Rannou, P., 2014. Icarus, in press.

21. “Electrons densities and alkali atoms in exoplanet atmospheres”, Lavvas, P., Koskinen, T., Yelle, R.V., 2014. Ap.J., accepted for publication.

22. ”Flowering as the highest sensitivity period of grapevine (Vitis vinifera L. cv Mourvèdre) to the Botryosphaeria dieback agents Neofusicoccum parvum and Diplodia seriata infection”, Spagnolo A, Larignon P, Alayi TD, Cilindre C, Magnin-Robert M, Schaeffer-Reiss C, Van Dorsselaer A, Clément C, Fontaine F (2014) International Journal of Molecular Sciences, sous presse. DOI 10.3390/ijms150x000x

23. ”Differential responses of three grapevine cultivars to Botryosphaeria dieback”, Spagnolo A, Magnin-Robert M, Alayi TD, Cilindre C, Schaeffer-Reiss C, Van Dorsselaer A, Clément C, Larignon P, Suero-Ramirez M, Chong J, Bertsch C, Abou-Mansour E, Fontaine F (2014) Phytopathology, first look, sous presse. DOI 10.1094/PHYTO-01-14-0007-R

24. ”It’s time to pop a cork on champagne’s proteome!”, Cilindre C, Fasoli E, Amato A, Liger-Belair G, Righetti PG (2014), Journal of Proteomics, 105, 351-362.

25. "Self-broadening coefficients and improved line intensities for the ν7 band of ethylene near 10.5 μm, and impact on ethylene retrievals from Jungfraujoch solar spectra", J. Vander Auwera, A. Fayt, M. Tudorie, M. Rotger, V. Boudon, B. Franco, E. Mahieu, Journal of Quantitative Spectroscopy and Radiative Transfer, 148 (2014) 177–185.

26. "Analyses of FT spectra of C2V ozone isotopologues in the 4500–5700cm-1 region : 16O18O16O, 18O16O18O and 18O3" A.Barbe, M.-R.DeBacker, E.Starikova, X.Thomas, Vl.G.Tyuterev, , JQSRT (2014), 149, pp 51-63

27. "Three new bands of 18O16O18O by CW-CRDS between 6340 and 6800cm-1", E. Starikova, A.Barbe, M.-R.DeBacker, Vl.G.Tyuterev, D.Mondelain, S. Kassi, A.Campargue JQSRT (2014), 149, pp 211-218

28. "Does the “Reef Structure” at the Ozone Transition State towards the Dissociation Exist? New Insight from Calculations and Ultrasensitive Spectroscopy Experiments", Vl. G. Tyuterev, R. Kochanov, A. Campargue, S. Kassi, D. Mondelain, A. Barbe, E. Starikova, M. R. De Backer, P. G. Szalay, and S. Tashkun, PRL (2014) accepté, sous presse

29. "Reactivity of 3-hydroxy-3-methyl-2-butanone: Photolysis and OH reaction kinetics", H. Bouzidi, H. Laversin, A. Tomas, P. Coddeville, C. Fittschen, G. El Dib, E. Roth, A. Chakir, Atmospheric Environment, 98 (2014) 540-548.

30. "A mechanistic and kinetic study of the heteregeneous degradation of chlorpyrifos and chlorpyrifos oxon under the influence of atmospheric oxidants: ozone and OH-radicals", A. El Masri, M. Al Rashidi, H. Laversin, A. Chakir and E. Roth, RSC Adv. 4 (2014) 24786-24795

31. “How many bubbles in your glass of bubbly?”, G. Liger-Belair, J. Phys. Chem. B, 118, 3156-3163, 2014.

32. “Numerical modelling of bubble-driven flow patterns in champagne glasses”, F. Beaumont, C. Popa, G. Liger-Belair, G. Polidori, International Journal of Numerical Methods for Heat and Fluid Flow, 24, 563-578, 2014.

33. “Does shaking increase the pressure inside a bottle of champagne?”, A. Vreme, B. Pouligny, F. Nadal, G. Liger-Belair, J. Colloid Interface Sci., accepté, 2014.

34. "A new accurate ground-state potential energy surface of ethylene and predictions for rotational and vibrational energy levels", Thibault Delahaye, Andrei Nikitin, Michaël Rey, Peter G. Szalay and Vladimir G. Tyuterev, J. Chem. Phys, 141, 104301 (2014).

35. "Electrodynamics on extrasolar giant planets”, Koskinen, T., Yelle, R.V., Lavvas, P., Cho, J. Y-K., (2014), Ap.J., accepted for publication.

36. "Long-path averaged mixing ratios of O3 and NO2 in the free troposphere from mountain MAX-DOAS", L. Gomez, M. Navarro-Comas, O. Puentedura, Y. Gonzalez, E. Cuevas, and M. Gil-Ojeda, Atmos. Meas. Tech., 7, 1–14, 2014, doi:10.5194/amt-7-3373-2014

37. "The AquaVIT-1 intercomparison of atmospheric water vapor measurement techniques", D. W. Fahey, R.-S. Gao, O. Möhler, H. Saathoff, C. Schiller, V. Ebert, M. Krämer, T. Peter, N. Amarouche, L. M. Avallone, R. Bauer, Z. Bozóki, L. E. Christensen, S. M. Davis, G. Durry, C. Dyroff, R. L. Herman, S. Hunsmann, S. M. Khaykin, P. Mackrodt, J. Meyer, J. B. Smith, N. Spelten, R. F. Troy, H. Vömel, S. Wagner, and F. G. Wienhold, Atmos. Meas. Tech., 7, 3177-3213, 2014

38. "Theoretical hot methane line list up to 2000 K", M. Rey, A.V. Nikitin and Vl. G. Tyuterev, ApJ, 789 (2014) 1

39. "Accurate first-principles calculations for CH3D infrared spectra from isotopic and symmetry transformations", M. Rey, A.V. Nikitin and Vl. G. Tyuterev, , J. Chem. Phys., 141 (2014) 044316

40. "High Order Dipole Moment surface of PH3", A.V. Nikitin, M. Rey and Vl. G. Tyuterev, J. Mol. Spectrosc., (2014) sous presse

41. "Champagne! La vie secrète des bulles". G. Liger-Belair, D. Demarville, M. Onfray, Cherche Midi, Paris, (2014) sous presse.

42. "UV spectra and OH-oxidation kinetics of gaseous phase morpholinic compounds", M. Al Rashidi , A. El Masri, E. Roth, A. Chakir, Atmospheric Environment, V.88, P. 261-268 (2014)

43. "Kinetics and Mechanism of the Tropospheric Reaction of 3‑Hydroxy-3-methyl-2-butanone with Cl Atoms", C. Sleiman, G. El Dib, B. Ballesteros, A. Moreno, J. Albaladejo, A. Canosa and A. Chakir, J. Phys. Chem. A, 2014, 118 (32), pp 6163–6170

44. "Water vapor line parameters from 6450 to 9400 cm−1, L. Regalia, C. Oudot, S. Mikhailenko, L. Wang, X. Thomas, A. Jenouvrier, P. Von der Heyden, Journal of Quantitative Spectroscopy and Radiative Transfer, 136, pp. 119-136 (2014)

45. "Unveiling the Interplay Between Diffusing CO2 and Ethanol Molecules in Champagne Wines by Classical Molecular Dynamics and 13C NMR Spectroscopy", D. A. Bonhommeau, A. Perret, J.-M. Nuzillard, C. Cilindre, T. Cours, A. Alijah, et G. Liger-Belair, J. Phys. Chem. Lett. 5, 4232-4237 (2014) [ACS Editor's Choice].