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Aggregation of Asphaltene Subfractions A1 and A2 in Different Solvents from the Perspective of Molecular Dynamics Simulations
Orlando Villegas
,
Germain Salvato Vallverdu
,
Brice Bouyssiere
,
Sócrates Acevedo
,
Jimmy Castillo
Journal articles
hal-03996687v1
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Selective Detection of Choline in Pseudophysiological Medium with a Fluorescent Cage Receptor
Nicolas Fantozzi
,
Rémi Pétuya
,
Alberto Insuasty
,
Germain Salvato Vallverdu
,
Emilie Genin
Journal articles
hal-04072300v1
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Development of polymer films and biological matrices standards for selenium, mercury and endogenous elements quantitative LA-ICP MS imaging in entire rainbow trout fry
Laurie Labeyrie
,
Germain Vallverdu
,
Dominique Michau
,
Stéphanie Fontagné-Dicharry
,
Sandra Mounicou
Journal articles
hal-04197105v1
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Cancellation of dipole moment of models of asphaltene aggregates as a mean for their dispersion in toluene and THF calculated using molecular dynamics
Orlando Villegas
,
Germain Salvato Vallverdu
,
Brice Bouyssière
,
Socrates Acevedo
,
Jimmy Castillo
Journal articles
hal-03872557v1
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Unravelling the morphological dependency of the LiNi0.6Mn0.2Co0.2O2 layered oxide reactivity in Li-ion batteries
Adrien Soloy
,
Delphine Flahaut
,
Jean-Bernard Ledeuil
,
Joachim Allouche
,
Dominique Foix
Journal articles
hal-03684103v1
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Volatile fingerprint of food products with untargeted SIFT-MS data coupled with mixomics methods for profile discrimination: application case on cheese
Marine Reyrolle
,
Mylène Ghislain
,
Noëlle Bru
,
Germain Vallverdu
,
Thierry Pigot
Journal articles
hal-03318841v1
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Relating the electrochemical behavior of Birnessite to the morphology and specific surface: interest of studying the surface reactivity
Alexia Lemoine
,
Ronan Invernizzi
,
Germain Salvato Vallverdu
,
Jacob Olchowka
,
Liliane Guerlou-Demourgues
Journal articles
hal-03872467v1
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Development of a novel ReaxFF reactive potential for organochloride molecules
Matthieu Wolf
,
Didier Bégué
,
Germain Salvato Vallverdu
Journal articles
hal-03856305v1
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Reactivity at the electrode-electrolyte interfaces in Li-ion and gel electrolyte lithium batteries for LiNi0.6Mn0.2Co0.2O2 with different particle sizes
Adrien Soloy
,
Delphine Flahaut
,
Dominique Foix
,
Joachim Allouche
,
Germain Vallverdu
Journal articles
hal-03684124v1
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Effect of particle size on LiNi0.6Mn0.2Co0.2O2 layered oxide performance in Li-Ion batteries
Adrien Soloy
,
Delphine Flahaut
,
Joachim Allouche
,
Dominique Foix
,
Germain Vallverdu
Journal articles
hal-03662948v1
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Tissue localization of selenium of parental or dietary origin in rainbow trout ( Oncorhynchus mykiss ) fry using LA-ICP MS bioimaging
Pauline Wischhusen
,
Carine Arnaudguilhem
,
Maïté Bueno
,
Germain Vallverdu
,
Brice Bouyssière
Journal articles
hal-03097490v1
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Surface reactivity and surface characterization of the layered β(III)-CoOOH material: an experimental and computational study
Alexia Lemoine
,
Ronan Invernizzi
,
Germain Vallverdu
,
Lénaïc Madec
,
Jacob Olchowka
Journal articles
hal-03229987v1
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Surface reactivity of Li2MnO3: Structural and morphological impact
Ambroise Quesne-Turin
,
Delphine Flahaut
,
Germain Vallverdu
,
Laurence Croguennec
,
Joachim Allouche
Journal articles
hal-03075443v1
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Advances and Challenges in the Molecular Characterization of Petroporphyrins
Amy M Mckenna
,
Martha L Chacón-Patiño
,
Germain Vallverdu
,
Brice Bouyssière
,
Pierre Giusti
Journal articles
hal-03326412v1
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Relating the molecular topology and local geometry: Haddon’s pyramidalization angle and the Gaussian curvature
Julia Sabalot-Cuzzubbo
,
Germain Vallverdu
,
Didier Bégué
,
Jacky Cresson
Journal articles
hal-02902664v1
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Understanding the vanadium−asphaltene nanoaggregate link with silver triflate complexation and GPC ICP-MS analysis
Rémi Moulian
,
Zheng Fang
,
Germain Vallverdu
,
Caroline Barrère-Mangote
,
Quan Shi
Energy & Fuels, 2020, 34 (11), pp.13759-13766
Journal articles
hal-03021936v1
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Molecular Cartography of A1 and A2 Asphaltene Subfractions from Classical Molecular Dynamics Simulations
Orlando Villegas
,
Germain Vallverdu
,
Brice Bouyssière
,
Sócrates Acevedo
,
Jimmy Castillo
Journal articles
hal-03043502v1
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Fractionation and Characterization of Petroleum Asphaltene: Focus on Metalopetroleomics
Fang Zheng
,
Quan Shi
,
Germain Vallverdu
,
Pierre Giusti
,
Brice Bouyssière
Journal articles
hal-03016944v1
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Asphaltene aggregation studied by molecular dynamics simulations: role of the molecular architecture and solvents on the supramolecular or colloidal behavior
Hugo Santos Silva
,
A. Alfarra
,
Germain Vallverdu
,
Didier Bégué
,
Brice Bouyssière
Journal articles
hal-02172587v1
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Redox activity of nickel and vanadium porphyrins: a possible mechanism behind petroleum genesis and maturation?
G. Munoz
,
B. Gunessee
,
Didier Bégué
,
Brice Bouyssière
,
Isabelle Baraille
Journal articles
hal-02095223v1
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Sensitivity of Asphaltene Aggregation toward the Molecular Architecture under Desalting Thermodynamic Conditions
H. Santos Silva
,
A. Alfarra
,
Germain Vallverdu
,
Didier Bégué
,
Brice Bouyssière
Journal articles
hal-01781969v1
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Impact of H-Bonds and Porphyrins on Asphaltene Aggregation As Revealed by Molecular Dynamics Simulations
Hugo Santos Silva
,
A. Alfarra
,
Germain Vallverdu
,
Didier Bégué
,
Brice Bouyssière
Journal articles
hal-02095392v1
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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
Ambroise Quesne-Turin
,
Germain Vallverdu
,
Delphine Flahaut
,
Joachim Allouche
,
Laurence Croguennec
Journal articles
hal-01680977v1
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Surface reactivity of Li2MnO3: first-principles and experimental study
Ambroise Quesne-Turin
,
Delphine Flahaut
,
Laurence Croguennec
,
Germain Vallverdu
,
Joachim Allouche
Journal articles
hal-01670660v1
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Molecular Dynamics Study of Nanoaggregation in Asphaltene Mixtures: Effects of the N, O, and S Heteroatoms
Hugo Santos Silva
,
A.C.R. Sodero
,
Brice Bouyssière
,
Carrier Hervé
,
J.-P. Korb
Journal articles
hal-01495764v1
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The role of metalloporphyrins on the physical-chemical properties of petroleum fluids
Ana C R Sodero
,
Jean-Pierre Korb
,
Ahmad Alfarra
,
Pierre Giusti
,
Isabelle Baraille
Journal articles
hal-03227479v1
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First principle study of the surface reactivity of layered lithium oxides LiMO2 (M = Ni, Mn, Co)
Germain Vallverdu
,
M. Minvielle
,
Nathalie Andreu
,
Danielle Gonbeau
,
Isabelle Baraille
Journal articles
hal-01495814v1
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Possible Existence of a Monovalent Coordination for Nitrogen Atoms in LixPOyNz Solid Electrolyte: Modeling of X-ray Photoelectron Spectroscopy and Raman Spectra.
Emilie Guille
,
Germain Vallverdu
,
Yann Tison
,
Didier Bégué
,
Isabelle Baraille
Journal articles
hal-01536057v1
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First-principle calculation of core level binding energies of Li x PO y N z solid electrolyte
Émilie Guille
,
Isabelle Baraille
,
Germain Vallverdu
Journal articles
hal-03227484v1
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First principles calculations of solid-solid interfaces: An application to conversion materials for lithium-ion batteries
L. Martin
,
Germain Vallverdu
,
Hervé Martinez
,
F. Le Cras
,
Isabelle Baraille
Journal articles
hal-01499190v1
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Mesoscopic simulations of shock-to-detonation transition in reactive liquid high explosive
Jean-Bernard Maillet
,
Emeric Bourasseau
,
Nicolas Desbiens
,
Germain Vallverdu
,
Gabriel Stoltz
Journal articles
hal-00676470v1
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Excited state dynamics of the green fluorescent protein on the nanosecond time scale
G. Jonasson
,
J.-M. Teuler
,
Germain Vallverdu
,
F. Mérola
,
J. Ridard
Journal articles
hal-01550017v1
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Relation between pH, structure, and absorption spectrum of Cerulean: A study by molecular dynamics and TD DFT calculations
Germain Vallverdu
,
I. Demachy
,
F. Mérola
,
H. Pasquier
,
J. Ridard
Journal articles
hal-01550018v1
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Using biased molecular dynamics and Brownian dynamics in the study of fluorescent proteins
Germain Vallverdu
,
I. Demachy
,
J. Ridard
,
B. Levy
Journal articles
hal-01550019v1
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Cyan fluorescent protein: Molecular dynamics, simulations, and electronic absorption spectrum
I. Demachy
,
J. Ridard
,
H. Laguitton-Pasquier
,
E. Durnerin
,
Germain Vallverdu
Journal articles
hal-01550021v1
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Cyan fluorescent protein : molecular dynamics, simulations, and electronic absorption spectrum
I. Demachy
,
J. Ridard
,
H. Laguitton-Pasquier
,
E. Durnerin
,
Germain Vallverdu
Journal of Physical Chemistry B, 2005, 109 (50), pp.24121-24133
Journal articles
hal-00108327v1
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