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science:publications:accueil [2019/11/15 09:29]
cicaluga [2019]
science:publications:accueil [2020/03/09 08:50] (Version actuelle)
cicaluga [2019]
Ligne 3: Ligne 3:
 Les publications sont listées "en vrac" par années. Les publications sont listées "en vrac" par années.
  
-===== 2019 ===== +===== 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 
 + 
 +   * **R. Schira, F. Rabilloud **, Oxidation-Induced Surface Plasmon Band Fragmentation in Silver Clusters, **//J. Phys. Chem.//** C 124, 968-975 (2020) 
 + 
 + 
 + 
 +===== 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  
 + 
 +   * **Sheikha Lardhi, Antton Curutchet, Luigi Cavallo, Moussab Harb, Tangui Le Bahers. ** Ab initio assessment of Bi 1−x RE x CuOS (RE = La, Gd, Y, Lu) solid solutions as a semiconductor for photochemical water splitting. ​ **//​Physical Chemistry Chemical Physics, Royal Society of Chemistry//​**,​ 2017, 19 (19), pp.12321 - 12330. ⟨10.1039/​c7cp01684k⟩. ⟨hal-01889554⟩ 
 + 
 +   * **O. Liot, D. Martin-Calle,​ A. Gay, J. Salort, F. Chillà and M. Bourgoin **, Pair dispersion in inhomogeneous turbulent thermal convection **//Phys. Rev. Fluids//**, 4, 094603 (2019) http://​dx.doi.org/​10.1103/​PhysRevFluids.4.094603 
 + 
 +   * **Chaabene Marwa, and Gassoumi Bouzid, Mignon Pierre, Chaâbane Rafik Ben and Allouche Abdul-Rahman**,​ New zinc phthalocyanine derivatives for nitrogen dioxide sensors: A theoretical optoelectronic investigation,​ **//Journal of Molecular Graphics and Modelling//​**,​ 2019 
 + 
 +   * **Hervé Marius, Brédy Richard, Karras Gabriel, Concina Bruno, Brown Jeffery M, Allouche Abdul-Rahman,​ Lepine Franck, Compagnon Isabelle**, On-the-fly Femtosecond Action Spectroscopy of Charged Cyanine Dyes: Electronic Structure versus Geometry, **//The journal of physical chemistry letters//​**,​ 2019 
 + 
 +   * **SchindlerB,​ Legentil L, Allouche A.R., Ferrières V, Compagnon I.C**, Spectroscopic diagnostic for the ring-size of carbohydrates in the gas phase: furanose and pyranose forms of GalNAc, **//​Physical Chemistry Chemical Physics//​**,​ 2019 
 + 
 +   * **Soury, Raoudha and Chaabene, Marwa and Jabli, Mahjoub and Saleh, Tawfik A and Chaaben, Rafik Ben and Saint-Aman, Eric and Loiseau, Frédérique and Philouze, Christain and Allouche, Abdul-Rahman and Nasri, Habib**, Meso-tetrakis (3, 4, 5-trimethoxyphenyl) porphyrin derivatives:​ Synthesis, spectroscopic characterizations and adsorption of NO2, **//​Chemical Engineering Journal//​**,​ 2019 
 + 
 +   * **Abdelaziz,​ Moussaoui and Kamel, Alioua and Abdul-rahman,​ Allouche and Moncef, Bouledroua**,​ Theoretical investigation of the pressure broadening D1 and D2 lines of cesium atoms colliding with ground-state helium atoms, **//Chinese Physics B//**, 2019 
 + 
 + 
 +   * **C. Herbert, R. Caballero and F. Bouchet**, Atmospheric bistability and abrupt transitions to superrotation:​ wave-jet resonance and Hadley cell feedbacks, **//Journal of the Atmospheric Sciences//​**,​ vol. 77, no. 1, arXiv:​1905.12401,​ [pdf], https://​doi.org/​10.1175/​JAS-D-19-0089.1 
 + 
 +   * **F. Ragone and F. Bouchet**, Computation of extremes values of time averaged observables in climate models with large deviation techniques, **//J. Stat. Phys.//**, pp 1–29, arXiv:​1907.05762,​ [pdf], https://​doi.org/​10.1007/​s10955-019-02429-7 
 +    
 +   * **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) 
 + 
 +   * **Renaud, A., Nadeau, L. P., & 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. 
 + 
 +   * **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).
Ligne 17: Ligne 81:
    * **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 =====
 + 
 +   * **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**, 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**,​ 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 Surfaceâ Adsorbate Interactions by Block Localized Wave Functions, **//Journal of chemical theory and computation//​**,​15,​1,​265-275,​2018,​American Chemical Society
  
-===== 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.1573806545.txt.gz · Dernière modification: 2019/11/15 09:29 par cicaluga