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science:publications:accueil [2020/01/21 10:26] – [2019] cicalugascience:publications:accueil [2020/03/09 07:47] – [2020] cicaluga
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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
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    * **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 
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    * **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    * **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
science/publications/accueil.txt · Dernière modification : 2023/07/06 14:35 de ccalugar