Heterogeneous Interactions between Gas-Phase Pyruvic Acid and Hydroxylated Silica Surfaces: A Combined Experimental and Theoretical Study
Yuan Fang
,
Dominika Lesnicki
,
Kristin Wall
,
Marie-Pierre Gaigeot
,
Marialore Sulpizi
,
et al.
Journal articles
hal-02571929v1
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Accurate prediction of hydration free energies and solvation structures using molecular density functional theory with a simple bridge functional
Daniel Borgis
,
Sohvi Luukkonen
,
Luc Belloni
,
Guillaume Jeanmairet
Journal articles
hal-03454131v1
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Extra kinetic dimensions for label discrimination
Raja Chouket
,
Agnès Pellissier-Tanon
,
Aliénor Lahlou
,
Ruikang Zhang
,
Diana Kim
,
et al.
Journal articles
hal-03650716v1
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Non-standard electron transfer pathways in photolyases and cryptochromes
Pascal Plaza
,
Pavel Müller
,
Klaus Brettel
,
Junpei Yamamoto
,
Lars-Oliver Essen
17th Congress of the International Union of Photobiology/18th Congress of the European Society for Photobiology , Santi Nonell; John Spudlich, Aug 2019, Barcelone (Espagne), Spain
Conference papers
hal-04060894v1
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Predicting hydration free energies of the freesolv database of drug-like molecules with molecular density functional theory
Sohvi Luukkonen
,
Luc Belloni
,
Daniel Borgis
,
Maximilien Levesque
Journal articles
cea-02909000v1
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Intermolecular photochemical proton transfer in solution: new insights and perspectives
J.T. Hynes
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T.-T. Tran-Thi
,
G. Grannucci
Journal articles
istex
hal-00144428v1
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Dynamic contrast with reversibly photoswitchable fluorescent labels for imaging living cells
Raja Chouket
,
Agnès Pellissier-Tanon
,
Annie Lemarchand
,
Agathe Espagne
,
Thomas Le Saux
,
et al.
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hal-02612033v1
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Phase sensitive amplification enabled by coherent population trapping
P. Neveu
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C Banerjee
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J. Lugani
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F. Bretenaker
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E. Brion
,
et al.
Journal articles
hal-02107662v1
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Theoretical study of the ionization of liquid water from its several initial orbitals by fast electron impact
M L De Sanctis
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Marie-Françoise Politis
,
R Vuilleumier
,
C R Stia
,
O A Fojón
Journal articles
hal-02065097v1
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Refolding of Aggregation-Prone ScFv Antibody Fragments Assisted by Hydrophobically Modified Poly(sodium acrylate) Derivatives
Nicolas Martin
,
Narciso Costa
,
Frank Wien
,
Françoise Winnik
,
Céline Ortega
,
et al.
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hal-04003061v1
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Atomistic investigation of surface characteristics and electronic features at high-purity FeSi(110) presenting interfacial metallicity
Biao Yang
,
Martin Uphoff
,
Yi-Qi Zhang
,
Joachim Reichert
,
Ari Paavo Seitsonen
,
et al.
Journal articles
cea-04075085v1
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Screened Coulombic Orientational Correlations in Dilute Aqueous Electrolytes
Luc Belloni
,
Daniel Borgis
,
Maximilien Levesque
Journal articles
cea-01779405v1
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Roles of Hydration for Inducing Decomposition of 2-Deoxy- d -ribose by Ionization of Oxygen K -Shell Electrons
Kentaro Fujii
,
Yudai Izumi
,
Ayumi Narita
,
Krishna Kamol Ghose
,
Pablo Lopez-Tarifa
,
et al.
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hal-02104384v1
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Efficient spin-flip excitation of a nickelocene molecule
Maider Ormaza
,
Nicolas Bachellier
,
Marisa N Faraggi
,
Benjamin Verlhac
,
Paula Abufager
,
et al.
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hal-03553022v1
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Filming atomic motions in liquids
S. Bratos
,
Guilhem Gallot
,
J.-C. Leicknam
,
Stanislas Pommeret
,
Rodolphe Vuilleumier
,
et al.
Acta Chimica Slovenica , 2011, 58 (3), pp.434
Journal articles
hal-00803782v1
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DNA Repair by Photolyase: A novel substrate with low background absorption around 265 nm for transient absorption studies in the UV
Viruthachalam Thiagarajan
,
Sandrine Villette
,
Agathe Espagne
,
Andre P. M. Eker
,
Klaus Brettel
,
et al.
Journal articles
hal-00529478v1
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Scalar fundamental measure theory for hard spheres in three dimensions: Application to hydrophobic solvation
Maximilien Levesque
,
Rodolphe Vuilleumier
,
Daniel Borgis
Journal articles
hal-01308818v1
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Efficient molecular density functional theory using generalized spherical harmonics expansions
Lu Ding
,
Maximilien Levesque
,
Daniel Borgis
,
Luc Belloni
Journal articles
cea-01564512v1
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Mass-zero constrained molecular dynamics for electrode charges in simulations of electrochemical systems
A. Coretti
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L. Scalfi
,
C. Bacon
,
B. Rotenberg
,
R. Vuilleumier
,
et al.
Journal articles
hal-02869824v1
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Repair of (6-4) Lesions in DNA by (6-4) Photolyase: 20 Years of Quest for the Photoreaction Mechanism.
Junpei Yamamoto
,
Pascal Plaza
,
Klaus Brettel
Journal articles
hal-01450685v1
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Proton Collision on Deoxyribose Originating from Doubly Ionized Water Molecule Dissociation
Marie-Anne Hervé Du Penhoat
,
Nely Rodríguez Moraga
,
Marie-Pierre Gaigeot
,
Rodolphe Vuilleumier
,
Ivano Tavernelli
,
et al.
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hal-02110437v1
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Capacitive Performance of Water-in-Salt Electrolyte in Supercapacitors: A Simulation Study
Zhujie Li
,
Guillaume Jeanmairet
,
Trinidad Méndez-Morales
,
Benjamin Rotenberg
,
Mathieu Salanne
Journal articles
hal-02347041v1
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Study of a water-graphene capacitor with molecular density functional theory
Guillaume Jeanmairet
,
Benjamin Rotenberg
,
Daniel Borgis
,
Mathieu Salanne
Journal articles
hal-02348703v1
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What Does Second Harmonic Scattering Measure in Diluted Electrolytes ?
Daniel Borgis
,
Luc Belloni
,
Maximilien Levesque
Journal articles
cea-01818645v1
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Gold speciation in hydrothermal fluids revealed by in situ high energy resolution X-ray absorption spectroscopy
Gleb Pokrovski
,
Elsa Desmaele
,
Clément Laskar
,
Elena Bazarkina
,
Denis Testemale
,
et al.
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cea-04074998v1
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Actin-Network Architecture Regulates Microtubule Dynamics
Alexandra Colin
,
Pavithra Singaravelu
,
Manuel Thery
,
Laurent Blanchoin
,
Zoher Gueroui
Journal articles
hal-02333513v1
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Repair of the (6-4) Photoproduct by DNA Photolyase Requires Two Photons
Junpei Yamamoto
,
Ryan Martin
,
Shigenori Iwai
,
Pascal Plaza
,
Klaus Brettel
Journal articles
istex
hal-00846664v1
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A molecular density functional theory approach to electron transfer reactions
Guillaume Jeanmairet
,
Benjamin Rotenberg
,
Maximilien Levesque
,
Daniel Borgis
,
Mathieu Salanne
Journal articles
hal-02055678v1
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Molecular density functional theory of water
Guillaume Jeanmairet
,
Maximilien Levesque
,
Rodolphe Vuilleumier
,
Daniel Borgis
Journal articles
hal-01308802v1
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High-throughput free energies and water maps for drug discovery through molecular density functional theory
Sohvi Luukkonen
,
Luc Belloni
,
Daniel Borgis
,
Maximilien Levesque
6ème workshop AMMIB , May 2018, Evry, France
Conference papers
cea-02340016v1
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