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Article dans une revue15 documents

  • 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〉
  • Hugo Santos Silva, Ana C. R. Sodero, Jean-Pierre Korb, Ahmad Alfarra, Pierre Giusti, et al.. The role of metalloporphyrins on the physical-chemical properties of petroleum fluids.. Fuel, Elsevier, 2017, 188, pp.374-381. 〈10.1016/j.fuel.2016.10.065〉. 〈hal-01481296〉
  • Ambroise Quesne-Turin, Delphine Flahaut, Laurence Croguennec, Germain Vallverdu, Joachim Allouche, et al.. Surface reactivity of Li2MnO3: first-principles and experimental study. ACS Applied Materials & Interfaces, Washington, D.C. : American Chemical Society, 2017, 9 (50), pp.44222-44230. 〈10.1021/acsami.7b14826〉. 〈hal-01670660〉
  • Ambroise Quesne-Turin, Germain Vallverdu, Delphine Flahaut, Joachim Allouche, Laurence Croguennec, et al.. Morphology and surface reactivity relationship in the Li1+xMn2–xO4 spinel with x = 0.05 and 0.10: a combined first-principle and experimental study. ACS Applied Materials & Interfaces, Washington, D.C. : American Chemical Society, 2017, 9 (51), pp.44922-44930. 〈10.1021/acsami.7b15249〉. 〈hal-01680977〉
  • 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〉
  • H.S. Silva, A.C.R. Sodero, Brice Bouyssière, H. Carrier, 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〉
  • 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 (Copyright (C) 2017 American Chemical Society (ACS). All Rights Reserved.), pp.23379--23387. 〈10.1021/acs.jpcc.5b08427〉. 〈hal-01536057〉
  • Emilie Guille, Germain Vallverdu, Isabelle Baraille. First-principle calculation of core level binding energies of LixPOyNz solid electrolyte.. Journal of Chemical Physics, American Institute of Physics, 2014, 141, pp.244703/1-244703/9. 〈10.1063/1.4904720〉. 〈hal-01536062〉
  • 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〉
  • 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〉
  • 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〉
  • 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, 2010, 78 (4), pp.1040-1054. 〈10.1002/prot.22628〉. 〈hal-01550018〉
  • 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〉
  • A. Villoing, M. Ridhoir, B. Cinquin, M. Erard, L. Alvarez, et al.. Complex fluorescence of the cyan fluorescent protein: Comparisons with the H148D variant and consequences for quantitative cell imaging. Biochemistry, 2008, 47 (47), pp.12483-12492. 〈10.1021/bi801400d〉. 〈hal-01550020〉
  • 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〉

Communication dans un congrès1 document

  • H.S. Silva, A.C.R. Sodero, B. Bouyssiere, H. Carrier, J.-P. Korb, et al.. Asphaltenes and porphyrins molecular cartography and the aggregation properties studied by molecular dynamics simulations. 18th International Conference on Petroleum Phase Behavior and Fouling, Le Havre (France), 11-15 June 2017, 2017, Le Havre, France. 2017. 〈hal-01816724〉

Pré-publication, Document de travail1 document

  • Jean-Bernard Maillet, Germain Vallverdu, Nicolas Desbiens, Gabriel Stoltz, Emeric Bourasseau. Molecular Simulations of Shock to Detonation Transition in Nitromethane. 2011. 〈hal-00609415〉

Thèse1 document

  • Germain Vallverdu. Etude théorique de processus photophysiques dans des protéines fluorescentes. Autre. Université Paris Sud - Paris XI, 2009. Français. 〈tel-00431879〉