Nombre de documents




Article dans une revue15 documents

  • 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〉
  • Delphine Flahaut, Ambroise Quesne-Turin, Laurence Croguennec, Germain Vallverdu, Joachim Allouche, et al.. Surface Reactivity of Li 2 MnO 3 : 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-01672790〉
  • 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, 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〉
  • 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〉
  • 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〉
  • 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, 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〉

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〉