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Journal articles27 documents

  • Marine Reyrolle, Mylène Ghislain, Noëlle Bru, Germain Vallverdu, Thierry Pigot, et al.. Volatile fingerprint of food products with untargeted SIFT-MS data coupled with mixomics methods for profile discrimination: application case on cheese. Food Chemistry, Elsevier, 2022, 369, pp.130801. ⟨10.1016/j.foodchem.2021.130801⟩. ⟨hal-03318841⟩
  • 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⟩
  • Amy Mckenna, Martha Chacón-Patiño, Germain Vallverdu, Brice Bouyssière, Pierre Giusti, et al.. Advances and Challenges in the Molecular Characterization of Petroporphyrins. Sustainable Energy & Fuels, Royal Society of Chemistry, In press, ⟨10.1021/acs.energyfuels.1c02002⟩. ⟨hal-03326412⟩
  • Ambroise Quesne-Turin, Delphine Flahaut, Germain Vallverdu, Laurence Croguennec, Joachim Allouche, et al.. Surface reactivity of Li2MnO3: Structural and morphological impact. Applied Surface Science, Elsevier, 2021, 542, pp.148514. ⟨10.1016/j.apsusc.2020.148514⟩. ⟨hal-03075443⟩
  • Alexia Lemoine, Ronan Invernizzi, Germain Vallverdu, Lénaïc Madec, Jacob Olchowka, et al.. Surface reactivity and surface characterization of the layered β(III)-CoOOH material: an experimental and computational study. Journal of Physical Chemistry C, American Chemical Society, 2021, 125 (16), pp.8570-8581. ⟨10.1021/acs.jpcc.1c00041⟩. ⟨hal-03229987⟩
  • 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⟩
  • 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⟩
  • Fang Zheng, Quan Shi, Germain Vallverdu, Pierre Giusti, Brice Bouyssière. Fractionation and Characterization of Petroleum Asphaltene: Focus on Metalopetroleomics. Processes, MDPI, 2020, ⟨10.3390/pr8111504⟩. ⟨hal-03016944⟩
  • 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⟩
  • G. Munoz, B. Gunessee, D. Bégué, B. Bouyssiere, Isabelle Baraille, et al.. Redox activity of nickel and vanadium porphyrins: a possible mechanism behind petroleum genesis and maturation?. RSC Advances, Royal Society of Chemistry, 2019, 9 (17), pp.9509-9516. ⟨10.1039/C9RA01104H⟩. ⟨hal-02095223⟩
  • Hugo Santos Silva, A. Alfarra, Germain Vallverdu, D. Bégué, B. Bouyssiere, et al.. Asphaltene aggregation studied by molecular dynamics simulations: role of the molecular architecture and solvents on the supramolecular or colloidal behavior. Petroleum Science and Technology, Taylor & Francis, 2019, 16 (3), pp.669-684. ⟨10.1007/s12182-019-0321-y⟩. ⟨hal-02172587⟩
  • 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⟩
  • 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⟩
  • 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⟩
  • 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⟩
  • 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⟩
  • 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⟩
  • Ana Sodero, Jean-Pierre Korb, Ahmad Alfarra, Pierre Giusti, Isabelle Baraille, et al.. The role of metalloporphyrins on the physical-chemical properties of petroleum fluids. Fuel, Elsevier, 2016, 188, pp.374 - 381. ⟨10.1016/j.fuel.2016.10.065⟩. ⟨hal-03227479⟩
  • 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⟩
  • Émilie Guille, Isabelle Baraille, Germain Vallverdu. First-principle calculation of core level binding energies of Li x PO y N z solid electrolyte. Journal of Chemical Physics, American Institute of Physics, 2014, 141 (24), pp.244703. ⟨10.1063/1.4904720⟩. ⟨hal-03227484⟩
  • Lilian 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, Wiley, 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⟩
  • 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⟩
  • 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⟩

Conference papers1 document

  • Hugo Santos Silva, A.C.R. Sodero, B. Bouyssiere, Carrier Hervé, 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. ⟨hal-01816724⟩

Preprints, Working Papers, ...2 documents

  • Julia Sabalot-Cuzzubbo, Germain Vallverdu, Didier Bégué, Jacky Cresson. Relating the shape of a molecule and its reactivity -Haddon's Curvature and the Pyramidalization Angle.. 2020. ⟨hal-02490358⟩
  • Jean-Bernard Maillet, Germain Vallverdu, Nicolas Desbiens, Gabriel Stoltz, Emeric Bourasseau. Molecular Simulations of Shock to Detonation Transition in Nitromethane. 2011. ⟨hal-00609415⟩

Theses1 document

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