| Les deux révisions précédentesRévision précédenteProchaine révision | Révision précédenteProchaine révisionLes deux révisions suivantes |
| science:publications:accueil [2020/01/22 09:13] – [2019] cicaluga | science: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 |
| ===== 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 | * **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 | * **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 |
