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HALathon 2021 UPPA

Les articles que vous pouvez déposer

# Année Titre Revue Lien éditeur / doi Notice HAL
1 2021 Tissue localization of selenium of parental or dietary origin in rainbow trout ( Oncorhynchus mykiss ) fry using LA-ICP MS bioimaging Metallomics 10.1093/mtomcs/mfaa008 hal-03097490
2 2020 Molecular Cartography of A1 and A2 Asphaltene Subfractions from Classical Molecular Dynamics Simulations Sustainable Energy & Fuels 10.1021/acs.energyfuels.0c02744 hal-03043502
3 2020 Understanding the vanadium−asphaltene nanoaggregate link with silver triflate complexation and GPC ICP-MS analysis Energy and Fuels hal-03021936
4 2020 Relating the molecular topology and local geometry: Haddon’s pyramidalization angle and the Gaussian curvature Journal of Chemical Physics 10.1063/5.0008368 hal-02902664
5 2018 Impact of H-Bonds and Porphyrins on Asphaltene Aggregation As Revealed by Molecular Dynamics Simulations Energy and Fuels 10.1021/acs.energyfuels.8b01901 hal-02095392
6 2018 Sensitivity of Asphaltene Aggregation toward the Molecular Architecture under Desalting Thermodynamic Conditions Energy and Fuels 10.1021/acs.energyfuels.7b02728 hal-01781969
7 2016 Molecular Dynamics Study of Nanoaggregation in Asphaltene Mixtures: Effects of the N, O, and S Heteroatoms Energy and Fuels 10.1021/acs.energyfuels.6b01170 hal-01495764
8 2016 First principle study of the surface reactivity of layered lithium oxides LiMO2 (M = Ni, Mn, Co) Surface Science 10.1016/j.susc.2016.01.004 hal-01495814
9 2015 Possible Existence of a Monovalent Coordination for Nitrogen Atoms in LixPOyNz Solid Electrolyte: Modeling of X-ray Photoelectron Spectroscopy and Raman Spectra. Journal of Physical Chemistry C 10.1021/acs.jpcc.5b08427 hal-01536057
10 2012 First principles calculations of solid-solid interfaces: An application to conversion materials for lithium-ion batteries J. Mater. Chem. 10.1039/c2jm35078e hal-01499190
11 2011 Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive EPL - Europhysics Letters 10.1209/0295-5075/96/68007 hal-00676470
12 2011 Excited state dynamics of the green fluorescent protein on the nanosecond time scale Journal of Chemical Theory and Computation 10.1021/ct200150r hal-01550017
13 2010 Relation between pH, structure, and absorption spectrum of Cerulean: A study by molecular dynamics and TD DFT calculations Proteins - Structure, Function and Bioinformatics 10.1002/prot.22628 hal-01550018
14 2009 Using biased molecular dynamics and Brownian dynamics in the study of fluorescent proteins Journal of Molecular Structure: THEOCHEM 10.1016/j.theochem.2008.07.012 hal-01550019
15 2005 Cyan fluorescent protein: Molecular dynamics, simulations, and electronic absorption spectrum Journal of Physical Chemistry B 10.1021/jp054656w hal-01550021
16 2005 Cyan fluorescent protein : molecular dynamics, simulations, and electronic absorption spectrum Journal of Physical Chemistry B hal-00108327

Références complètes

  1. Pauline Wischhusen, Carine Arnaudguilhem, Maïté Bueno, Germain Vallverdu, Brice Bouyssière, et al.. Tissue localization of selenium of parental or dietary origin in rainbow trout ( Oncorhynchus mykiss ) fry using LA-ICP MS bioimaging. Metallomics, Royal Society of Chemistry, 2021, 13 (2), ⟨10.1093/mtomcs/mfaa008⟩. ⟨hal-03097490⟩
  2. Orlando Villegas, Germain Vallverdu, Brice Bouyssière, Sócrates Acevedo, Jimmy Castillo, et al.. Molecular Cartography of A1 and A2 Asphaltene Subfractions from Classical Molecular Dynamics Simulations. Sustainable Energy & Fuels, Royal Society of Chemistry, 2020, 34 (11), pp.13954-13965. ⟨10.1021/acs.energyfuels.0c02744⟩. ⟨hal-03043502⟩
  3. Rémi Moulian, Zheng Fang, Germain Vallverdu, Caroline Barrere-Mangote, Quan Shi, et al.. Understanding the vanadium−asphaltene nanoaggregate link with silver triflate complexation and GPC ICP-MS analysis. Energy and Fuels, American Chemical Society, 2020, 34 (11), pp.13759-13766. ⟨hal-03021936⟩
  4. Julia Sabalot-Cuzzubbo, Germain Vallverdu, Didier Bégué, Jacky Cresson. Relating the molecular topology and local geometry: Haddon’s pyramidalization angle and the Gaussian curvature. Journal of Chemical Physics, American Institute of Physics, 2020, 152 (24), pp.244310. ⟨10.1063/5.0008368⟩. ⟨hal-02902664⟩
  5. Hugo Santos Silva, A. Alfarra, Germain Vallverdu, D. Bégué, B. Bouyssiere, et al.. Impact of H-Bonds and Porphyrins on Asphaltene Aggregation As Revealed by Molecular Dynamics Simulations. Energy and Fuels, American Chemical Society, 2018, 32 (11), pp.11153-11164. ⟨10.1021/acs.energyfuels.8b01901⟩. ⟨hal-02095392⟩
  6. H. Santos Silva, A. Alfarra, Germain Vallverdu, D. Bégué, B. Bouyssiere, et al.. Sensitivity of Asphaltene Aggregation toward the Molecular Architecture under Desalting Thermodynamic Conditions. Energy and Fuels, American Chemical Society, 2018, 32 (3), pp.2681 - 2692. ⟨10.1021/acs.energyfuels.7b02728⟩. ⟨hal-01781969⟩
  7. Hugo Santos Silva, A.C.R. Sodero, Brice Bouyssière, Carrier Hervé, J.-P. Korb, et al.. Molecular Dynamics Study of Nanoaggregation in Asphaltene Mixtures: Effects of the N, O, and S Heteroatoms. Energy and Fuels, American Chemical Society, 2016, 30 (7), pp.5656-5664. ⟨10.1021/acs.energyfuels.6b01170⟩. ⟨hal-01495764⟩
  8. Germain Vallverdu, M. Minvielle, N. Andreu, Danielle Gonbeau, Isabelle Baraille. First principle study of the surface reactivity of layered lithium oxides LiMO2 (M = Ni, Mn, Co). Surface Science, Elsevier, 2016, 649, pp.46-55. ⟨10.1016/j.susc.2016.01.004⟩. ⟨hal-01495814⟩
  9. Emilie Guille, Germain Vallverdu, Yann Tison, Didier Bégué, Isabelle Baraille. Possible Existence of a Monovalent Coordination for Nitrogen Atoms in LixPOyNz Solid Electrolyte: Modeling of X-ray Photoelectron Spectroscopy and Raman Spectra.. Journal of Physical Chemistry C, American Chemical Society, 2015, 119, pp.23379--23387. ⟨10.1021/acs.jpcc.5b08427⟩. ⟨hal-01536057⟩
  10. L. Martin, Germain Vallverdu, Hervé Martinez, F. Le Cras, Isabelle Baraille. First principles calculations of solid-solid interfaces: An application to conversion materials for lithium-ion batteries. J. Mater. Chem., 2012, 22 (41), pp.22063--22071. ⟨10.1039/c2jm35078e⟩. ⟨hal-01499190⟩
  11. Jean-Bernard Maillet, Emeric Bourasseau, Nicolas Desbiens, Germain Vallverdu, Gabriel Stoltz. Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive. EPL - Europhysics Letters, European Physical Society/EDP Sciences/Società Italiana di Fisica/IOP Publishing, 2011, 96 (6), pp.68007. ⟨10.1209/0295-5075/96/68007⟩. ⟨hal-00676470⟩
  12. G. Jonasson, J.-M. Teuler, Germain Vallverdu, F. Mérola, J. Ridard, et al.. Excited state dynamics of the green fluorescent protein on the nanosecond time scale. Journal of Chemical Theory and Computation, American Chemical Society, 2011, 7 (6), pp.1990-1997. ⟨10.1021/ct200150r⟩. ⟨hal-01550017⟩
  13. Germain Vallverdu, I. Demachy, F. Mérola, H. Pasquier, J. Ridard, et al.. Relation between pH, structure, and absorption spectrum of Cerulean: A study by molecular dynamics and TD DFT calculations. Proteins - Structure, Function and Bioinformatics, Wiley, 2010, 78 (4), pp.1040-1054. ⟨10.1002/prot.22628⟩. ⟨hal-01550018⟩
  14. Germain Vallverdu, I. Demachy, J. Ridard, B. Levy. Using biased molecular dynamics and Brownian dynamics in the study of fluorescent proteins. Journal of Molecular Structure: THEOCHEM, Elsevier, 2009, 898 (1-3), pp.73-81. ⟨10.1016/j.theochem.2008.07.012⟩. ⟨hal-01550019⟩
  15. I. Demachy, J. Ridard, H. Laguitton-Pasquier, E. Durnerin, Germain Vallverdu, et al.. Cyan fluorescent protein: Molecular dynamics, simulations, and electronic absorption spectrum. Journal of Physical Chemistry B, American Chemical Society, 2005, 109 (50), pp.24121-24133. ⟨10.1021/jp054656w⟩. ⟨hal-01550021⟩
  16. I. Demachy, J. Ridard, H. Laguitton-Pasquier, E. Durnerin, Germain Vallverdu, et al.. Cyan fluorescent protein : molecular dynamics, simulations, and electronic absorption spectrum. Journal of Physical Chemistry B, American Chemical Society, 2005, 109 (50), pp.24121-24133. ⟨hal-00108327⟩