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science:publications:accueil [2020/01/20 11:00]
cicaluga
science:publications:accueil [2020/03/09 08:50] (Version actuelle)
cicaluga [2019]
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 ===== 2020 ===== ===== 2020 =====
 +
 +   * **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 ===== 
 + 
 + 
 +   * **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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    * **T. Lestang, F. Bouchet, and E. Lévêque**,​ Rare-event sampling applied to the simulation of extreme mechanical efforts exerted by a turbulent flow on a bluf body, hal-02347024v1    * **T. Lestang, F. Bouchet, and E. Lévêque**,​ Rare-event sampling applied to the simulation of extreme mechanical efforts exerted by a turbulent flow on a bluf body, hal-02347024v1
  
 +   * **R. Schira, F. Rabilloud**,​ Localized Surface Plasmon Resonance in Silver Nanoclusters Agn n=20-147, **//J. Phys. Chem. //**C 123, 6205-6212 ​ (2019)
  
-R. SchiraFRabilloudLocalized Surface Plasmon Resonance in Silver Nanoclusters Agn n=20-147 JPhysChemC 1236205-6212  ​(2019)+   * **RenaudA., NadeauLP., & Venaille, A.**Periodicity Disruption of a Model Quasibiennial Oscillation of Equatorial Winds. **//​Physical Review Letters//​**,​ 122(21), 214504., https://​journals.aps.org/​prl/​pdf/​10.1103/​PhysRevLett.122.214504
  
 +   * **Renaud, A., & Venaille, A. **, Boundary streaming by internal waves. **//Journal of Fluid Mechanics//​**,​ 858, 71-90.
  
--Un article dans PRL où tu es remerciée avec le PSMN/CBP explicitement à la fin : +   * **R. D. Schram, A. Rosa, R. Everaers ​**, Local loop opening in untangled ring polymer melts: A detailed "​Feynman test" of models for the large scale structure, ​**//Soft Matter//** 15, 2418. DOI:​10.1039/​C8SM02587H
-Renaud, A., Nadeau, L. P., & Venaille, A. (2019). Periodicity Disruption of a Model Quasibiennial Oscillation of Equatorial Winds. Physical Review Letters, 122(21), 214504. +
-https://​journals.aps.org/​prl/​pdf/​10.1103/​PhysRevLett.122.214504 +
- +
--et un JFM +
-Renaud, A., & Venaille, A. (2019). Boundary streaming by internal waves. Journal of Fluid Mechanics, 858, 71-90. +
- +
-R. D. Schram, A. Rosa, R. Everaers +
-Local loop opening in untangled ring polymer melts: A detailed "​Feynman test" of models for the large scale structure, Soft Matter 15, 2418. +
-DOI:​10.1039/​C8SM02587H+
  
    * **Fontrodona N, Aubé F, Claude JB, Polvèche H, Lemaire S, Tranchevent LC, Modolo L, Mortreux F, Bourgeois CF, Auboeuf D**, Interplay between coding and exonic splicing regulatory sequences **//Genome Research May 2019//** 29(5):​711-722. doi: 10.1101/​gr.241315.118. (2019).    * **Fontrodona N, Aubé F, Claude JB, Polvèche H, Lemaire S, Tranchevent LC, Modolo L, Mortreux F, Bourgeois CF, Auboeuf D**, Interplay between coding and exonic splicing regulatory sequences **//Genome Research May 2019//** 29(5):​711-722. doi: 10.1101/​gr.241315.118. (2019).
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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⟩ 
- 
- 
-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). ​
science/publications/accueil.1579514410.txt.gz · Dernière modification: 2020/01/20 11:00 par cicaluga