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 ===== 2020 ===== ===== 2020 =====
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 +   * **K. Bernardino, K. Goloviznina, A.A.H. Padua, M.C.C. Ribeiro **, Ion Pair Free Energy Surface as a Probe of Ionic Liquid Structure, **//J. Chem. Phys.//**, (2020) DOI: 10.1063/1.5128693
 +
  
    * **Barnes Loic, Allouche Abdul-Rahman, Chambert Stéphane, Schindler Baptiste, Compagnon Isabelle **, Ion spectroscopy of heterogeneous mixtures: IRMPD and DFT analysis of anomers and conformers of monosaccharides, **//International Journal of Mass Spectrometry//**, 2020    * **Barnes Loic, Allouche Abdul-Rahman, Chambert Stéphane, Schindler Baptiste, Compagnon Isabelle **, Ion spectroscopy of heterogeneous mixtures: IRMPD and DFT analysis of anomers and conformers of monosaccharides, **//International Journal of Mass Spectrometry//**, 2020
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-===== 2019 ===== +===== 2019 ===== 
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 +   * **K. Goloviznina, J.N. Canongia Lopes, M. Costa Gomes, A.A.H. Pádua**, A Transferable, Polarisable Force Field for Ionic Liquids, **//J. Chem. Theory Comput. 15//** (2019) 5858−5871, DOI: 10.1021/acs.jctc.9b00689 
 + 
 +   * **Thapa, Indira; Ntais, Spyridon; Clément, Roxanne; Baranova, Elena A; Gu, Qingyi; Steinmann, Stephan N; Michel, Carine; Lau, M Kit; Hass, Cathy S; Millis, Jim**, C6 Diacids from homocitric acid lactone using relay heterogeneous catalysis in water,**//Catalysis Today//**,319,,191-196,2019,Elsevier 
 + 
 +   * **Schweitzer, Benjamin; Steinmann, Stephan N; Michel, Carine**, Can microsolvation effects be estimated from vacuum computations? A case-study of alcohol decomposition at the H 2 O/Pt (111) interface,**//Physical Chemistry Chemical Physics//**,21,10,5368-5377,2019,Royal Society of Chemistry 
 + 
 +   * **Staub, Ruben; Iannuzzi, Marcella; Khaliullin, Rustam Z; Steinmann, Stephan N**, Energy Decomposition Analysis for Metal Surface–Adsorbate Interactions by Block Localized Wave Functions,**//Journal of chemical theory and computation//**,15,1,265-275,2018,American Chemical Society 
 + 
 +   * **Réocreux, Romain; Michel, Carine; Fleurat-Lessard, Paul; Sautet, Philippe; Steinmann, Stephan N**, Evaluating Thermal Corrections for Adsorption Processes at the Metal/Gas Interface,**//The Journal of Physical Chemistry C//**,123,47,28828-28835,2019,ACS Publications 
 + 
 +   * **Hajar, Yasmine M; Treps, Laureline; Michel, Carine; Baranova, Elena A; Steinmann, Stephan N**, Theoretical insight into the origin of the electrochemical promotion of ethylene oxidation on ruthenium oxide,**//Catalysis Science & Technology//**,9,21,5915-5926,2019,Royal Society of Chemistry 
 + 
 +   * **Mom, Rik Valentijn; Melissen, Sigismund TAG; Sautet, Philippe; Frenken, Joost WM; Steinmann, Stephan N; Groot, Irene MN**, The Pressure Gap for Thiols: Methanethiol Self-Assembly on Au (111) from Vacuum to 1 bar,**//The Journal of Physical Chemistry //**,2019,ACS Publications 
 + 
 +   * **Blanck, Sarah; Loehlé, Sophie; Steinmann, Stephan N; Michel, Carine**, Adhesion of lubricant on aluminium through adsorption of additive head-groups on γ-alumina: A DFT study,**//Tribology International//**,106140,2019,Elsevier 
 +  
 + 
 +   * **Beurton F, Stempor P, Caron M, Appert A, Dong Y, Chen RA, Cluet D, Couté Y, Herbette M, Huang N, Polveche H, Spichty M, Bedet C, Ahringer J, Palladino F.**, Physical and functional interaction between SET1/COMPASS complex component CFP-1 and a Sin3S HDAC complex in C. elegans, oct. 2019, **//Nucleic Acids Research//**, doi: 10.1093/nar/gkz880 
 +  
 +   * **Lemaire S, Fontrodona N, Aubé F, Claude JB, Polvèche H, Modolo L, Bourgeois CF, Mortreux F Auboeuf D.**, Characterizing the interplay between gene nucleotide composition bias and splicing, nov. 2019 **//Genome Biology//**, doi: 10.1186/s13059-019-1869-y
    
    * **Marius Socol,  Renjie Wang,  Daniel Jost,  Pascal Carrivain,  Cédric Vaillant,  Eric Le Cam, Vincent Dahirel,  Christophe Normand,  Kerstin Bystricky,  Jean-Marc Victor,  Olivier Gadal, Aurélien Bancaud **, Rouse model with transient intramolecular contacts on a timescale of seconds recapitulates folding and fluctuation of yeast chromosomes, **//Nucleic Acids Research//**,Volume 47, Issue 12, 09 July 2019, Pages 6195–6207, https://doi.org/10.1093/nar/gkz374     * **Marius Socol,  Renjie Wang,  Daniel Jost,  Pascal Carrivain,  Cédric Vaillant,  Eric Le Cam, Vincent Dahirel,  Christophe Normand,  Kerstin Bystricky,  Jean-Marc Victor,  Olivier Gadal, Aurélien Bancaud **, Rouse model with transient intramolecular contacts on a timescale of seconds recapitulates folding and fluctuation of yeast chromosomes, **//Nucleic Acids Research//**,Volume 47, Issue 12, 09 July 2019, Pages 6195–6207, https://doi.org/10.1093/nar/gkz374 
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    * **Davis G., Dauxois T., Jamin T., Joubaud S. **, Energy budget in internal wave attractor experiments, **//Journal of Fluid Mechanics. 880, 743-763//**, 2019, https://doi.org/10.1017/jfm.2019.741 [ImpactFactor: 1.885 | H index:  64 | SJR 2017: 0.51]    * **Davis G., Dauxois T., Jamin T., Joubaud S. **, Energy budget in internal wave attractor experiments, **//Journal of Fluid Mechanics. 880, 743-763//**, 2019, https://doi.org/10.1017/jfm.2019.741 [ImpactFactor: 1.885 | H index:  64 | SJR 2017: 0.51]
  
 +   * **Goloviznina K., Costa Gomes M., Padua A. **,  Polarisable forcefield for molecular dynamics simulations of ionic liquids, the **//10th International conference of chemistry Toulouse-Kiev (ICTK-10)//**, June 3-5, 2019, Toulouse, France. (poster)
  
 +   * **Goloviznina K., Costa Gomes M., Padua A. **, Prediction of dispersion and induction components for polarizable molecular simulations of ionic liquids, **//The 8th International congress on ionic liquids (COIL-8)//**, May 13-17, 2019, Beijing, China. (poster)
  
 ===== 2018 ===== ===== 2018 =====
-Amal Baqais, Antton Curutchet, Ahmed Ziani, Hassan Ait Ahsaine, Philippe Sautet, et al.. Bismuth Silver Oxysulfide for Photoconversion Applications: Structural and Optoelectronic Properties. Chemistry of Materials, American Chemical Society, 2017, 29 (20), pp.8679 - 8689. ⟨10.1021/acs.chemmater.7b02664⟩. ⟨hal-01889549⟩ 
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-Velocity fluctuations and boundary layer structure in a rough Rayleigh-Bénard cell filled with water 
-O. Liot, Q. Ehlinger, E. Rusaouën, T. Coudarchet, J. Salort and F. Chillà 
-Phys. Rev. Fluids, 2, 044605 (2017)  
-http://dx.doi.org/10.1103/PhysRevFluids.2.044605 
- 
    
-Isabella Norrbo, Antton Curutchet, Ari Kuusisto, Jaakko Mäkelä, Pekka Laukkanen, et al.. Solar UV index and UV dose determination with photochromic hackmanites: from the assessment of the fundamental properties to the device. Materials Horizons, cRoyal Society of Chemistry, 2018, 5 (3), pp.569 - 576. ⟨10.1039/C8MH00308D⟩. ⟨hal-01889515⟩+   * **Isabella Norrbo, Antton Curutchet, Ari Kuusisto, Jaakko Mäkelä, Pekka Laukkanen, et al..** Solar UV index and UV dose determination with photochromic hackmanites: from the assessment of the fundamental properties to the device.  **//Materials Horizons, cRoyal Society of Chemistry//**, 2018, 5 (3), pp.569 - 576. ⟨10.1039/C8MH00308D⟩. ⟨hal-01889515⟩
  
-    F. RAGONE, J. WOUTERS, and F. BOUCHET, 2018, Computation of extreme heat waves in climate models using a large deviation algorithm, Proceedings of the National Academy of Sciences, vol 115, no 1, pages 24-29, https://doi.org/10.1073/pnas.1712645115, and arXiv:1709.03757, [pdf]. +   * **F. RAGONE, J. WOUTERS, and F. BOUCHET**, Computation of extreme heat waves in climate models using a large deviation algorithm, **//Proceedings of the National Academy of Sciences//**, vol 115, no 1, pages 24-29, https://doi.org/10.1073/pnas.1712645115, and arXiv:1709.03757, [pdf]. 
-    F. BOUCHET, J. MARSTON, and T. TANGARIFE, 2018, Fluctuations and large deviations of Reynolds' stresses in zonal jet dynamics, Physics of Fluids 30, 015110, https://doi.org/10.1063/1.4990509, and arXiv:1706.08810, [pdf]. +     
-    T. LESTANG, F. RAGONE, C.E. BREHIER, C. HERBERT, and F. BOUCHET, 2018, Computing return times with rare event algorithms, Journal of Statistical Mechanics: Theory and Experiment, 2018, vol. 2018, no 4, p. 043213, https://doi.org/10.1088/1742-5468/aab856, arXiv:1709.03757, [pdf]+   * **F. BOUCHET, J. MARSTON, and T. TANGARIFE**, Fluctuations and large deviations of Reynolds' stresses in zonal jet dynamics, **//Physics of Fluids//** 30, 015110, https://doi.org/10.1063/1.4990509, and arXiv:1706.08810, [pdf]. 
 +     
 +   * **T. LESTANG, F. RAGONE, C.E. BREHIER, C. HERBERT, and F. BOUCHET**, Computing return times with rare event algorithms, **//Journal of Statistical Mechanics: Theory and Experiment//**, 2018, vol. 2018, no 4, p. 043213, https://doi.org/10.1088/1742-5468/aab856, arXiv:1709.03757, [pdf]
  
-"Staub, Ruben; Iannuzzi, Marcella; Khaliullin, Rustam Z; Steinmann, Stephan N; ",Energy Decomposition Analysis for Metal Surface–Adsorbate Interactions by Block Localized Wave Functions,Journal of chemical theory and computation,15,1,265-275,2018,American Chemical Society+   * **Staub, Ruben; Iannuzzi, Marcella; Khaliullin, Rustam Z; Steinmann, Stephan N**, Energy Decomposition Analysis for Metal Surfaceâ Adsorbate Interactions by Block Localized Wave Functions, **//Journal of chemical theory and computation//**,15,1,265-275,2018,American Chemical Society
  
-S. Mahtout, C. Siouani, F. Rabilloud, Growth behavior and electronic structure of noble metal-doped germanium clusters, J. Phys. Chem. A 122, 662-677 (2018)+   * **S. Mahtout, C. Siouani, F. Rabilloud**, Growth behavior and electronic structure of noble metal-doped germanium clusters, **//J. Phys. Chem.//** A 122, 662-677 (2018)
  
    * **C Hocquet, X Robellet, L Modolo, X-M Sun, C Burny, S Cuylen-Haering, E Toselli, S Clauder-Münster, L Steinmetz, Ch H Haering, S Marguerat and P Bernard**, Condensin controls cellular RNA levels through the accurate segregation of chromosomes instead of directly regulating transcription, **//eLife 2018//**, Published online 2018 Sep 19. doi: 10.7554/eLife.38517 (2018).     * **C Hocquet, X Robellet, L Modolo, X-M Sun, C Burny, S Cuylen-Haering, E Toselli, S Clauder-Münster, L Steinmetz, Ch H Haering, S Marguerat and P Bernard**, Condensin controls cellular RNA levels through the accurate segregation of chromosomes instead of directly regulating transcription, **//eLife 2018//**, Published online 2018 Sep 19. doi: 10.7554/eLife.38517 (2018). 
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