Publications - Laboratoire de Chimie Quantique de Strasbourg

Journal articles

2025

ref_biblio: Vincent Robert-Pélissier, D. Pascu, V. Lainey, J.-E. Arlot. NAROO program: Analysis of USNO Galilean observations 1967–1998. Icarus, 2025, 426, pp.116344. ⟨10.1016/j.icarus.2024.116344⟩. ⟨hal-04782295⟩
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2024

ref_biblio: Filip Cernatic, Pierre-François Loos, Bruno Senjean, Emmanuel Fromager. Neutral electronic excitations and derivative discontinuities: An extended N -centered ensemble density functional theory perspective. Physical Review B, 2024, 109 (23), pp.235113. ⟨10.1103/PhysRevB.109.235113⟩. ⟨hal-04620817⟩
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ref_biblio: Emmanuel Fromager, Benjamin Lasorne. Density functional theory beyond the Born–Oppenheimer approximation: exact mapping onto an electronically non-interacting Kohn–Sham molecule. Electronic Structure, 2024, 6 (2), pp.025002. ⟨10.1088/2516-1075/ad45d5⟩. ⟨hal-04732149⟩
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ref_biblio: Valerio Giuso, Christophe Gourlaouen, Mathias Delporte--Pébay, Thomas Groizard, Nicolas Vanthuyne, et al.. Chiroptical activity of benzannulated N-heterocyclic carbene rhenium( i ) tricarbonyl halide complexes: towards efficient circularly polarized luminescence emitters. Physical Chemistry Chemical Physics, 2024, 26 (6), pp.4855-4869. ⟨10.1039/D3CP04300B⟩. ⟨hal-05067967⟩
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ref_biblio: Souvik Mandal, Chantal Daniel. Ultrafast Excited-State Nonadiabatic Dynamics in Pt(II) Donor–Bridge–Acceptor Assemblies: A Quantum Approach for Optical Control. Journal of Physical Chemistry A, 2024, 128 (16), pp.3126-3136. ⟨10.1021/acs.jpca.4c00646⟩. ⟨hal-05067971⟩
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2023

ref_biblio: Valerio Giuso, Christophe Gourlaouen, Mathias Delporte-Pébay, Thomas Groizard, Nicolas Vanthuyne, et al.. Chiroptical activity of benzannulated N-heterocyclic carbene rhenium(I) tricarbonyl halide complexes: towards efficient circularly polarized luminescence emitters. Physical Chemistry Chemical Physics, 2023, Physical Chemistry Chemical Physics : Pccp, ⟨10.1039/d3cp04300b⟩. ⟨hal-04338185⟩
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ref_biblio: Valerio Giuso, Jeannine Yang, Jérémy Forté, Héloïse Dossmann, Chantal Daniel, et al.. Binuclear Biphenyl Organogold(III) Complexes: Synthesis, Photophysical and Theoretical Investigation, and Anticancer Activity. ChemPlusChem, 2023, 88 (11), pp.e202300303. ⟨10.1002/cplu.202300303⟩. ⟨hal-04208146⟩
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ref_biblio: Quentin Marécat, Benjamin Lasorne, Emmanuel Fromager, Matthieu Saubanère. Unitary transformations within density matrix embedding approaches: A perspective on the self-consistent scheme for electronic structure calculation. Physical Review B, 2023, 108 (15), pp.155119. ⟨10.1103/PhysRevB.108.155119⟩. ⟨hal-04276488⟩
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ref_biblio: A-C Perlbarg, J. Desmars, V Robert, D Hestroffer. NAROO program. Astronomy & Astrophysics - A&A, 2023, 680, pp.A41. ⟨10.1051/0004-6361/202347100⟩. ⟨hal-04538241⟩
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ref_biblio: Sajanthan Sekaran, Oussama Bindech, Emmanuel Fromager. A unified density matrix functional construction of quantum baths in density matrix embedding theory beyond the mean-field approximation. The Journal of Chemical Physics, 2023, 159 (3), ⟨10.1063/5.0157746⟩. ⟨hal-04170578⟩
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ref_biblio: Rami Shafei, Ai Hamano, Christophe Gourlaouen, Dimitrios Maganas, Keiko Takano, et al.. Theoretical spectroscopy for unraveling the intensity mechanism of the optical and photoluminescent spectra of chiral Re(I) transition metal complexes. The Journal of Chemical Physics, 2023, 159 (8), ⟨10.1063/5.0153742⟩. ⟨hal-05067949⟩
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2022

ref_biblio: Anna Bonfiglio, Pei-Wan Hsiao, Yin Chen, Christophe Gourlaouen, Quentin Marchand, et al.. Highly Emissive Red Heterobimetallic Ir III /M I (M I = Cu I and Au I ) Complexes for Efficient Light-Emitting Electrochemical Cells. Chemistry of Materials, 2022, 34 (4), pp.1756-1769. ⟨10.1021/acs.chemmater.1c03972⟩. ⟨hal-03789493⟩
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ref_biblio: Filip Cernatic, Bruno Senjean, Vincent Robert, Emmanuel Fromager. Ensemble Density Functional Theory of Neutral and Charged Excitations. Topics in current chemistry, 2022, 380 (1), pp.4. ⟨10.1007/s41061-021-00359-1⟩. ⟨hal-03796341⟩
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ref_biblio: Christophe Gourlaouen, Chantal Daniel. Towards Optimized Photoluminescent Copper(I) Phenanthroline-Functionalized Complexes: Control of the Photophysics by Symmetry-Breaking and Spin–Orbit Coupling. Materials, 2022, 15 (15), pp.5222. ⟨10.3390/ma15155222⟩. ⟨hal-05067980⟩
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ref_biblio: Christophe Gourlaouen, Benjamin Schweitzer, Chantal Daniel. Are luminescent Ru 2+ chelated complexes selective coordinative sensors for the detection of heavy cations?. Physical Chemistry Chemical Physics, 2022, 24 (4), pp.2309-2317. ⟨10.1039/D1CP04442G⟩. ⟨hal-04016078⟩
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ref_biblio: Pablo Roseiro, Vincent Robert. Environmental effects on the singlet fission phenomenon: a model Hamiltonian-based study. Physical Chemistry Chemical Physics, 2022, 24 (26), pp.15945-15950. ⟨10.1039/D2CP01632J⟩. ⟨hal-04017118⟩
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ref_biblio: Sajanthan Sekaran, Matthieu Saubanère, Emmanuel Fromager. Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals. Computation, 2022, 10 (3), pp.45. ⟨10.3390/computation10030045⟩. ⟨hal-03833005⟩
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ref_biblio: Bruno Senjean, Saad Yalouz, Naoki Nakatani, Emmanuel Fromager. Reduced density matrix functional theory from an ab initio seniority-zero wave function: Exact and approximate formulations along adiabatic connection paths. Physical Review A, 2022, 106 (3), pp.032203. ⟨10.1103/PhysRevA.106.032203⟩. ⟨hal-03796346⟩
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ref_biblio: Andrew Michael Teale, Trygve Helgaker, Andreas Savin, Carlo Adano, Bálint Aradi, et al.. DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science. Physical Chemistry Chemical Physics, 2022, 24 (47), pp.28700-28781. ⟨10.1039/D2CP02827A⟩. ⟨hal-03770771⟩
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ref_biblio: Saad Yalouz, Sajanthan Sekaran, Emmanuel Fromager, Matthieu Saubanère. Quantum embedding of multi-orbital fragments using the block-Householder transformation. The Journal of Chemical Physics, 2022, 157 (21), pp.214112. ⟨10.1063/5.0125683⟩. ⟨hal-03936657⟩
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2021

ref_biblio: Anna Bonfiglio, Conor Mccartin, Ulises Carrillo, Cristina Cebrian, Philippe Gros, et al.. IrIII‐pyridoannelated N‐heterocyclic carbene complexes: potent theranostic agents via mitochondria targeting. European Journal of Inorganic Chemistry, 2021, 2021 (16), pp.1551-1564. ⟨10.1002/ejic.202100132⟩. ⟨hal-03158231⟩
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ref_biblio: Maria Fumanal, Chantal Daniel, Etienne Gindensperger. Excited-state dynamics of [Mn(im)(CO) 3 (phen)] + : PhotoCORM, catalyst, luminescent probe?. The Journal of Chemical Physics, 2021, 154 (15), pp.154102. ⟨10.1063/5.0044108⟩. ⟨hal-03224768⟩
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ref_biblio: Christophe Gourlaouen, Keiko Takano, Ai Hamano, Chantal Daniel. Substituent effects on the photophysical properties of 2,9‐substituted phenanthroline copper(I) complexes: a theoretical investigation. ChemPhysChem, 2021, 22, pp.509-515. ⟨10.1002/cphc.202000868⟩. ⟨hal-03034539⟩
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ref_biblio: Matt J. P. Hodgson, Jack Wetherell, Emmanuel Fromager. Exact exchange-correlation potentials for calculating the fundamental gap with a fixed number of electrons. Physical Review A, 2021, 103 (1), ⟨10.1103/PhysRevA.103.012806⟩. ⟨hal-03525559⟩
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ref_biblio: M. Yu. Khovritchev, V. Robert, N. Narizhnaya, T. Vasilyeva, A. Apetyan, et al.. Astrometric measurement and reduction of Pulkovo photographic observations of the main Saturnian satellites from 1972 to 2007 in the Gaia reference frame. Astronomy & Astrophysics - A&A, 2021, 645, pp.A76. ⟨10.1051/0004-6361/202039119⟩. ⟨hal-03470560⟩
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ref_biblio: V. Lainey, A. Pasewaldt, V. Robert, P. Rosenblatt, R. Jaumann, et al.. Mars moon ephemerides after 14 years of Mars Express data. Astronomy & Astrophysics - A&A, 2021, 650, pp.A64. ⟨10.1051/0004-6361/202039406⟩. ⟨hal-03272998⟩
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ref_biblio: V. Robert, J. Desmars, V. Lainey, J.-E. Arlot, A.-C. Perlbarg, et al.. The NAROO digitization center. Astronomy & Astrophysics - A&A, 2021, 652, pp.A3. ⟨10.1051/0004-6361/202140472⟩. ⟨hal-03311346⟩
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ref_biblio: Sajanthan Sekaran, Masahisa Tsuchiizu, M. Saubanère, Emmanuel Fromager. Householder-transformed density matrix functional embedding theory. Physical Review B, 2021, 104 (3), ⟨10.1103/PhysRevB.104.035121⟩. ⟨hal-03366562⟩
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2020

ref_biblio: Anna Bonfiglio, Lenka Pallova, Vincent César, Christophe Gourlaouen, Stéphane Bellemin‐laponnaz, et al.. Phosphorescent Cationic Heterodinuclear Ir III /M I Complexes (M=Cu I , Au I ) with a Hybrid Janus‐Type N‐Heterocyclic Carbene Bridge. Chemistry - A European Journal, 2020, 26 (51), pp.11751-11766. ⟨10.1002/chem.202002767⟩. ⟨hal-02937859⟩
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ref_biblio: Jan Gerit Brandenburg, Kieron Burke, Emmanuel Fromager, Matteo Gatti, Sara Giarrusso, et al.. New approaches to study excited states in density functional theory: general discussion. Faraday Discussions, 2020, 224 (1-2), pp.483-508. ⟨10.1039/D0FD90026E⟩. ⟨hal-03961430⟩
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ref_biblio: Jan Gerit Brandenburg, Kieron Burke, Antonio Cancio, Jannis Erhard, Emmanuel Fromager, et al.. New density-functional approximations and beyond: general discussion. Faraday Discussions, 2020, 224, pp.166-200. ⟨10.1039/D0FD90023K⟩. ⟨hal-03525539⟩
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ref_biblio: Chantal Daniel. Ultrafast Processes: Coordination Chemistry and Quantum Theory. Physical Chemistry Chemical Physics, 2020, 23 (1), pp.43-58. ⟨10.1039/D0CP05116K⟩. ⟨hal-03034533⟩
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ref_biblio: Emmanuel Fromager. Individual Correlations in Ensemble Density Functional Theory: State- and Density-Driven Decompositions without Additional Kohn-Sham Systems. Physical Review Letters, 2020, 124 (24), ⟨10.1103/PhysRevLett.124.243001⟩. ⟨hal-03525553⟩
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ref_biblio: Emmanuel Fromager, Nikitas Gidopoulos, Paola Gori-Giorgi, Trygve Helgaker, Pierre-Francois Loos, et al.. Strong correlation in density functional theory: general discussion. Faraday Discussions, 2020, 224, pp.373-381. ⟨10.1039/D0FD90025G⟩. ⟨hal-03961433⟩
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ref_biblio: Erik P. Geest, Khosrow Shakouri, Wangyang Fu, Vincent Robert, Viorica Tudor, et al.. Contactless Spin Switch Sensing by Chemo‐Electric Gating of Graphene. Advanced Materials, 2020, 32 (10), pp.1903575. ⟨10.1002/adma.201903575⟩. ⟨hal-03511516⟩
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ref_biblio: Lea Gimeno, Errol Blart, Jean-Noël Rebilly, Marina Coupeau, Magali Allain, et al.. Non symmetrical sterically challenged phenanthroline ligands and their homoleptic copper(I) complexes with improved excited state properties. Chemistry - A European Journal, 2020, 26 (51), pp.11887-11899. ⟨10.1002/chem.202001209⟩. ⟨hal-02890128⟩
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ref_biblio: Valery Lainey, Luis Gomez Casajus, Jim Fuller, Marco Zannoni, Paolo Tortora, et al.. Resonance locking in giant planets indicated by the rapid orbital expansion of Titan. Nature Astronomy, 2020, ⟨10.1038/s41550-020-1120-5⟩. ⟨hal-02945403⟩
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ref_biblio: Augustin Long, Elise Antonetti, Alberto Insuasty, Sandra Pinet, Isabelle Gosse, et al.. Hemicryptophanes with Improved Fluorescent Properties for the Selective Recognition of Acetylcholine over Choline. Journal of Organic Chemistry, 2020, 85 (10), pp.6400-6407. ⟨10.1021/acs.joc.0c00217⟩. ⟨hal-03180306⟩
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ref_biblio: Pierre-François Loos, Emmanuel Fromager. A weight-dependent local correlation density-functional approximation for ensembles. The Journal of Chemical Physics, 2020, 152 (21), pp.214101. ⟨10.1063/5.0007388⟩. ⟨hal-02767551⟩
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ref_biblio: Clotilde Marut, Bruno Senjean, Emmanuel Fromager, Pierre-François Loos. Weight Dependence of Local Exchange-Correlation Functionals in Ensemble Density-Functional Theory: Double Excitations in Two-Electron Systems. Faraday Discussions, 2020, 224, pp.402-423. ⟨10.1039/D0FD00059K⟩. ⟨hal-02767530⟩
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ref_biblio: Bruno Senjean, Emmanuel Fromager. N ‐centered ensemble density‐functional theory for open systems. International Journal of Quantum Chemistry, 2020, 120 (21), ⟨10.1002/qua.26190⟩. ⟨hal-03365736⟩
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2019

ref_biblio: Parisa Bayat, David Gatineau, Denis Lesage, Vincent Robert, Alexandre Martinez, et al.. Investigation of hemicryptophane host-guest binding energies using high-pressure collision induced dissociation in combination with RRKM modeling. Journal of The American Society for Mass Spectrometry, 2019, 30 (3), pp.509-518. ⟨10.1007/s13361-018-2109-5⟩. ⟨hal-02323852⟩
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ref_biblio: Samantha Brown-Xu, Maria Fumanal, Christophe Gourlaouen, Lea Gimeno, Alessia Quatela, et al.. Intriguing Effects of Halogen Substitution on the Photophysical Properties of 2,9-(Bis)halo-Substituted Phenanthrolinecopper(I) Complexes. Inorganic Chemistry, 2019, 58 (12), pp.7730-7745. ⟨10.1021/acs.inorgchem.9b00042⟩. ⟨hal-02351535⟩
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ref_biblio: Chantal Daniel, Christophe Gourlaouen. Structural and Optical Properties of Metal-Nitrosyl Complexes. Molecules, 2019, 24 (20), pp.3638. ⟨10.3390/molecules24203638⟩. ⟨hal-02571371⟩
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ref_biblio: Magalie Delecluse, Cédric Colomban, Delphine Moraleda, Innocenzo de Riggi, Françoise Duprat, et al.. Positive Cooperative Effect in Ion‐Pair Recognition by a Tris‐urea Hemicryptophane Cage. Chemistry - A European Journal, 2019, 25 (13), pp.3337-3342. ⟨10.1002/chem.201805534⟩. ⟨hal-02098293⟩
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ref_biblio: Killian Deur, Emmanuel Fromager. Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation. The Journal of Chemical Physics, 2019, 150 (9), pp.094106. ⟨10.1063/1.5084312⟩. ⟨hal-03525558⟩
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ref_biblio: Maria Fumanal, Yu Harabuchi, Etienne Gindensperger, Satoshi Maeda, Chantal Daniel. Excited-State Reactivity of [Mn(im)(CO) 3 (phen)] + : A Structural Exploration. Journal of Computational Chemistry, 2019, 40 (1), pp.72-81. ⟨10.1002/jcc.25535⟩. ⟨hal-02399602⟩
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ref_biblio: Marco Marazzi, Hugo Gattuso, Maria Fumanal, Chantal Daniel, Antonio Monari. Charge‐Transfer versus Charge‐Separated Triplet Excited States of [Re I (dmp)(CO) 3 (His124)(Trp122)] + in Water and in Modified Pseudomonas aeruginosa Azurin Protein. Chemistry - A European Journal, 2019, 25 (10), pp.2519-2526. ⟨10.1002/chem.201803685⟩. ⟨hal-03037929⟩
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ref_biblio: Laurent Mazouin, M. Saubanère, Emmanuel Fromager. Site-occupation Green's function embedding theory: A density functional approach to dynamical impurity solvers. Physical Review B, 2019, 100 (19), ⟨10.1103/PhysRevB.100.195104⟩. ⟨hal-02346416⟩
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ref_biblio: B. Morgado, R. Vieira-Martins, M. Assafin, D I Machado, J. I B Camargo, et al.. APPROX -mutual approximations between the Galilean moons: the 2016-2018 observational campaign. Monthly Notices of the Royal Astronomical Society: Letters, 2019, 482, pp.5190 - 5200. ⟨10.1093/mnras/sty3040⟩. ⟨hal-02945408⟩
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ref_biblio: Felix Plasser, Sebastian Mai, Maria Fumanal, Etienne Gindensperger, Chantal Daniel, et al.. Strong Influence of Decoherence Corrections and Momentum Rescaling in Surface Hopping Dynamics of Transition Metal Complexes. Journal of Chemical Theory and Computation, 2019, 15 (9), pp.5031-5045. ⟨10.1021/acs.jctc.9b00525⟩. ⟨hal-03037918⟩
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ref_biblio: Vincent Robert. The multiple origins of complexity in the molecular world: Bonds, interactions, and cooperativity. Jounral of CIPH, 2019. ⟨hal-03511541⟩
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2018

ref_biblio: J. M. Bohbot, E. Darai, F. Bretelle, G. Brami, C. Daniel, et al.. Efficacy and safety of vaginally administered lyophilized Lactobacillus crispatus IP 174178 in the prevention of bacterial vaginosis recurrence (vol 47, pg 81, 2018). Journal of Gynecology Obstetrics and Human Reproduction, 2018, 47 (4), pp.177. ⟨10.1016/j.jogoh.2018.03.005⟩. ⟨hal-01858890⟩
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ref_biblio: Carmen Castillo, Thibaut Stoll, Martina Sandroni, Robin Gueret, Jérôme Fortage, et al.. Electrochemical Generation and Spectroscopic Characterization of the Key Rhodium(III) Hydride Intermediates of Rhodium Poly(bipyridyl) H 2 -Evolving Catalysts. Inorganic Chemistry, 2018, 57 (17), pp.11225-11239. ⟨10.1021/acs.inorgchem.8b01811⟩. ⟨hal-02048001⟩
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ref_biblio: Damien Colombet, Dominique Legendre, U. Tuttlies, Arnaud Cockx, Pascal Guiraud, et al.. On single bubble mass transfer in a volatile liquid. International Journal of Heat and Mass Transfer, 2018, 125, pp.1144-1155. ⟨10.1016/j.ijheatmasstransfer.2018.04.149⟩. ⟨hal-01886489⟩
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ref_biblio: Killian Deur, Laurent Mazouin, Bruno Senjean, Emmanuel Fromager. Exploring weight-dependent density-functional approximations for ensembles in the Hubbard dimer. The European Physical Journal B: Condensed Matter and Complex Systems, 2018, 91 (7), ⟨10.1140/epjb/e2018-90124-7⟩. ⟨hal-03365394⟩
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ref_biblio: Maria Fumanal, Felix Plasser, Sebastian Mai, Chantal Daniel, Etienne Gindensperger. Interstate vibronic coupling constants between electronic excited states for complex molecules. The Journal of Chemical Physics, 2018, 148 (12), pp.124119. ⟨10.1063/1.5022760⟩. ⟨hal-02296559⟩
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ref_biblio: M. Fumanal, E. Gindensperger, C. Daniel. Ligand substitution and conformational effects on the ultrafast luminescent decay of [Re(CO) 3 (phen)(L)] + (L = imidazole, pyridine): non-adiabatic quantum dynamics. Physical Chemistry Chemical Physics, 2018, 20 (2), pp.1134-1141. ⟨10.1039/C7CP07540E⟩. ⟨hal-05068077⟩
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ref_biblio: Maria Fumanal, Sergi Vela, Hugo Gattuso, Antonio Monari, Chantal Daniel. Absorption Spectroscopy and Photophysics of a Re I -dppz Probe for DNA-Mediated Charge Transport. Chemistry - A European Journal, 2018, 24 (54), pp.14425-14435. ⟨10.1002/chem.201801980⟩. ⟨hal-02184563⟩
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ref_biblio: Maria Fumanal, Etienne Gindensperger, Chantal Daniel. Ultrafast Intersystem Crossing vs Internal Conversion in α-Diimine Transition Metal Complexes: Quantum Evidence. Journal of Physical Chemistry Letters, 2018, 9 (17), pp.5189-5195. ⟨10.1021/acs.jpclett.8b02319⟩. ⟨hal-02288986⟩
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ref_biblio: Christophe Gourlaouen, Sergi Vela, Sylvie Choua, Mathilde Berville, Jennifer Wytko, et al.. Pairing-up viologen cations and dications: a microscopic investigation of van der Waals interactions. Physical Chemistry Chemical Physics, 2018, 20 (44), pp.27878-27884. ⟨10.1039/C8CP04543G⟩. ⟨hal-01993519⟩
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ref_biblio: Sebastian Mai, Felix Plasser, Johann Dorn, Maria Fumanal, Chantal Daniel, et al.. Quantitative wave function analysis for excited states of transition metal complexes. Coordination Chemistry Reviews, 2018, 361, pp.74-97. ⟨10.1016/j.ccr.2018.01.019⟩. ⟨hal-02571362⟩
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ref_biblio: Thomas Penfold, Etienne Gindensperger, Chantal Daniel, Christel Marian. Spin-Vibronic Mechanism for Intersystem Crossing. Chemical Reviews, 2018, 118 (15), pp.6975-7025. ⟨10.1021/acs.chemrev.7b00617⟩. ⟨hal-02288976⟩
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ref_biblio: E. Saquet, N. Emelyanov, V. V. Robert-Pélissier Robert, J.-E Arlot, P. Anbazhagan, et al.. The PHEMU15 catalogue and astrometric results of the Jupiter's Galilean satellite mutual occultation and eclipse observations made in 2014–2015. Monthly Notices of the Royal Astronomical Society, 2018, 474 (4), pp.4730-4739. ⟨10.1093/mnras/stx2957⟩. ⟨hal-02352278⟩
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ref_biblio: Bruno Senjean, Naoki Nakatani, Masahisa Tsuchiizu, Emmanuel Fromager. Multiple impurities and combined local density approximations in site-occupation embedding theory. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2018, 137 (12), ⟨10.1007/s00214-018-2368-z⟩. ⟨hal-03365725⟩
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ref_biblio: Bruno Senjean, Emmanuel Fromager. Unified formulation of fundamental and optical gap problems in density-functional theory for ensembles. Physical Review A, 2018, 98 (2), ⟨10.1103/PhysRevA.98.022513⟩. ⟨hal-03365395⟩
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ref_biblio: Bruno Senjean, Naoki Nakatani, Masahisa Tsuchiizu, Emmanuel Fromager. Site-occupation embedding theory using Bethe ansatz local density approximations. Physical Review B, 2018, 97 (23), ⟨10.1103/PhysRevB.97.235105⟩. ⟨hal-03365386⟩
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ref_biblio: Kevin Soulis, Christophe Gourlaouen, Chantal Daniel, Alessia Quatela, Fabrice Odobel, et al.. New luminescent copper(I) complexes with extended pi-conjugation. Polyhedron, 2018, 140 (SI), pp.42-50. ⟨10.1016/j.poly.2017.11.026⟩. ⟨hal-02141016⟩
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ref_biblio: Ange Stoïanov, Christophe Gourlaouen, Sergi Vela, Chantal Daniel. Luminescent Dinuclear Copper(I) Complexes as Potential Thermally Activated Delayed Fluorescence (TADF) Emitters: A Theoretical Study. Journal of Physical Chemistry A, 2018, 122 (5), pp.1413-1421. ⟨10.1021/acs.jpca.7b11793⟩. ⟨hal-02615054⟩
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2017

ref_biblio: Mehboob Alam, Killian Deur, Stefan Knecht, Emmanuel Fromager. Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states. The Journal of Chemical Physics, 2017, 147 (20), pp.204105. ⟨10.1063/1.4999825⟩. ⟨hal-03525560⟩
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ref_biblio: Chantal Daniel, Christophe Gourlaouen. Chemical bonding alteration upon electronic excitation in transition metal complexes. Coordination Chemistry Reviews, 2017, 344, pp.131-149. ⟨10.1016/j.ccr.2016.10.010⟩. ⟨hal-02571357⟩
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ref_biblio: Killian Deur, Laurent Mazouin, Emmanuel Fromager. Exact ensemble density functional theory for excited states in a model system: Investigating the weight dependence of the correlation energy. Physical Review B, 2017, 95 (3), ⟨10.1103/PhysRevB.95.035120⟩. ⟨hal-03525540⟩
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ref_biblio: Maria Fumanal, Etienne Gindensperger, Chantal Daniel. Ultrafast Excited-State Decays in [Re(CO) 3 (N,N)(L)] n + : Nonadiabatic Quantum Dynamics. Journal of Chemical Theory and Computation, 2017, 13 (3), pp.1293-1306. ⟨10.1021/acs.jctc.6b01203⟩. ⟨hal-02288983⟩
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ref_biblio: Maria Fumanal, Etienne Gindensperger, Chantal Daniel. Correction to Ultrafast Excited-State Decays in [Re(CO) 3 (N,N)(L)] n + : Nonadiabatic Quantum Dynamics. Journal of Chemical Theory and Computation, 2017, 13 (8), pp.3952-3953. ⟨10.1021/acs.jctc.7b00783⟩. ⟨hal-04599753⟩
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ref_biblio: Sebastian Mai, Hugo Gattuso, Maria Fumanal, Aurora Muñoz-Losa, Antonio Monari, et al.. Excited-states of a rhenium carbonyl diimine complex: solvation models, spin–orbit coupling, and vibrational sampling effects. Physical Chemistry Chemical Physics, 2017, 19 (40), pp.27240-27250. ⟨10.1039/c7cp05126c⟩. ⟨hal-02571369⟩
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ref_biblio: Mónica Mendes, Khrystyna Regeta, Filipe Ferreira da Silva, Nykola C. Jones, Søren Vrønning Hoffmann, et al.. Comprehensive investigation of the electronic excitation of W(CO) 6 by photoabsorption and theoretical analysis in the energy region from 3.9 to 10.8 eV. Beilstein Journal of Nanotechnology, 2017, 8 (9), pp.2208-2218. ⟨10.3762/bjnano.8.220⟩. ⟨hal-02571353⟩
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ref_biblio: Vincent Robert, E. Saquet, J.-E Arlot, François Colas. CCD astrometric observations of Amalthea and Thebe in the Gaia era. Monthly Notices of the Royal Astronomical Society, 2017, ⟨10.1093/mnras/stx123⟩. ⟨hal-01458954⟩
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ref_biblio: Trond Saue, Emmanuel Fromager. Foreword for the special issue of Molecular Physics in honour of Hans Jørgen Aagaard Jensen. Molecular Physics, 2017, 115 (1-2), pp.1-4. ⟨10.1080/00268976.2017.1259259⟩. ⟨hal-01500695⟩
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ref_biblio: Benjamin Schweitzer, Chantal Daniel, Christophe Gourlaouen. Metal–metal bonding in 1st, 2nd and 3rd row transition metal complexes: a topological analysis. Journal of Molecular Modeling, 2017, 23 (5), ⟨10.1007/s00894-017-3321-0⟩. ⟨hal-02571361⟩
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ref_biblio: Bruno Senjean, Masahisa Tsuchiizu, Vincent Robert, Emmanuel Fromager. Local density approximation in site-occupation embedding theory. Molecular Physics, 2017, 115 (1-2), pp.48-62. ⟨10.1080/00268976.2016.1182224⟩. ⟨hal-03365365⟩
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ref_biblio: Sergi Vela, Martin Verot, Emmanuel Fromager, Vincent Robert. Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach. The Journal of Chemical Physics, 2017, 146 (6), pp.064112. ⟨10.1063/1.4975327⟩. ⟨hal-01885987⟩
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ref_biblio: Ronald P. De Vries, Robert Riley, Ad Wiebenga, Guillermo Aguilar-Osorio, Sotiris Amillis, et al.. Comparative genomics reveals high biological diversity and specific adaptations in the industrially and medically important fungal genus Aspergillus. Genome Biology, 2017, 18, ⟨10.1186/s13059-017-1151-0⟩. ⟨hal-01496186⟩
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2016

ref_biblio: Md. Mehboob Alam, Chantal Daniel. One- and two-photon activity of diketopyrrolopyrrole-Zn-porphyrin conjugates: linear and quadratic density functional response theory applied to model systems. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2016, 135 (2), ⟨10.1007/s00214-015-1780-x⟩. ⟨hal-02571335⟩
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ref_biblio: Mehboob Alam, Stefan Knecht, Emmanuel Fromager. Ghost-interaction correction in ensemble density-functional theory for excited states with and without range separation. Physical Review A, 2016, 94 (1), ⟨10.1103/PhysRevA.94.012511⟩. ⟨hal-03525557⟩
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ref_biblio: Jean-Eudes Arlot, Mirel Birlan, Vincent Robert. The Project NAROO (New Astrometric Reduction of Old Observations). Romanian Astronomical Journal, 2016. ⟨hal-02451158⟩
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ref_biblio: P. Bonants, J.-C. Streito, J. Elphinstone, Perrine Portier, V. Robert, et al.. Q-collect: results of a European Union project to improve the status of reference collections important for plant health. EPPO Bulletin, 2016, 46 (2), pp.348-358. ⟨10.1111/epp.12295⟩. ⟨hal-03577675⟩
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ref_biblio: Marie Chenet, Daniel Brunstein, Vincent Jomelli, Erwan Roussel, Vincent Rinterknecht, et al.. 10Be cosmic-ray exposure dating of moraines and rock avalanches in the Upper Romanche valley (French Alps): Evidence of two glacial advances during the Late Glacial/Holocene transition. Quaternary Science Reviews, 2016, 148, pp.209 - 221. ⟨10.1016/j.quascirev.2016.07.025⟩. ⟨hal-01480986⟩
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ref_biblio: Maria Fumanal, Chantal Daniel. Electronic and Photophysical Properties of [Re (L)(CO) 3 (phen)] + and [Ru(L) 2 (bpy) 2 ] 2+ (L = imidazole), Building Units for Long-Range Electron Transfer in Modified Blue Copper Proteins. Journal of Physical Chemistry A, 2016, 120 (35), pp.6934-6943. ⟨10.1021/acs.jpca.6b06438⟩. ⟨hal-02571348⟩
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ref_biblio: Maria Fumanal, Chantal Daniel. Description of excited states in [Re(Imidazole)(CO) 3 (Phen)] + including solvent and spin-orbit coupling effects: Density functional theory versus multiconfigurational wavefunction approach. Journal of Computational Chemistry, 2016, 37 (27), pp.2454-2466. ⟨10.1002/jcc.24469⟩. ⟨hal-02571340⟩
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ref_biblio: Yu Harabuchi, Julien Eng, Etienne Gindensperger, Tetsuya Taketsugu, Satoshi Maeda, et al.. Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin–Vibronic Quantum Dynamics. Journal of Chemical Theory and Computation, 2016, 12 (5), pp.2335-2345. ⟨10.1021/acs.jctc.6b00080⟩. ⟨hal-02289236⟩
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ref_biblio: Valéry Lainey, Robert A Jacobson, Radwan Tajeddine, Nicholas J Cooper, Carl Murray, et al.. New constraints on Saturn's interior from Cassini astrometric data. Icarus, 2016, 281, pp.286 - 296. ⟨10.1016/j.icarus.2016.07.014⟩. ⟨hal-01377142⟩
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ref_biblio: Elisa Nicoud, Daniele Aureli, Marina Pagli, Valentina Villa, Christine Chaussé, et al.. Preliminary data from Valle Giumentina Pleistocene site (Abruzzo, Central Italy): A new approach to a Clactonian and Acheulian sequence. Quaternary International, 2016, 409, pp.182 - 194. ⟨10.1016/j.quaint.2015.08.080⟩. ⟨hal-01481268⟩
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ref_biblio: Vincent Robert-Pélissier, D. Pascu, V. Lainey, J.-E. Arlot, J.-P. de Cuyper, et al.. New astrometric measurement and reduction of USNO photographic observations of the main Saturnian satellites: 1974−1998. Astronomy & Astrophysics - A&A, 2016, 596, pp.A37. ⟨10.1051/0004-6361/201629807⟩. ⟨hal-02945295⟩
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ref_biblio: E. Saquet, N. Emelyanov, F. Colas, J.-E. Arlot, V. V. Robert-Pélissier Robert, et al.. Eclipses of the inner satellites of Jupiter observed in 2015. Astronomy & Astrophysics - A&A, 2016, 591, pp.A42. ⟨10.1051/0004-6361/201628246⟩. ⟨hal-02430481⟩
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ref_biblio: Bruno Senjean, Erik Hedegård, Md. Mehboob Alam, Stefan Knecht, Emmanuel Fromager. Combining linear interpolation with extrapolation methods in range-separated ensemble density functional theory. Molecular Physics, 2016, 114 (7-8), pp.968-981. ⟨10.1080/00268976.2015.1119902⟩. ⟨hal-03365360⟩
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ref_biblio: Valentina Villa, Alison Pereira, Christine Chaussé, Sébastien Nomade, Biagio Giaccio, et al.. A MIS 15-MIS 12 record of environmental changes and Lower Palaeolithic occupation from Valle Giumentina, central Italy. Quaternary Science Reviews, 2016, 151, pp.160 - 184. ⟨10.1016/j.quascirev.2016.09.006⟩. ⟨hal-01481343⟩
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ref_biblio: V. Villa, A. Pereira, C. Chaussé, S. Nomade, F. Fusco, et al.. Stratigraphy And Chronology Of Valle Giumentina Pleistocene Site (Abruzzi, Italy). Quaternary Science Reviews, 2016, 151, pp.160-184. ⟨hal-02065078⟩
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ref_biblio: Shu-Hua Xia, Wei-Hai Fang, Ganglong Cui, Chantal Daniel. A theoretical study of ruthenium complexes with 2,2′-biimidazole-like ligands: structural, optical and emissive properties. Photochemical & Photobiological Sciences , 2016, 15 (9), pp.1138-1147. ⟨10.1039/C6PP00148C⟩. ⟨hal-03522177⟩
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2015

ref_biblio: L. Copey, L. Jean-Gérard, E. Framery, G. Pilet, V. Robert, et al.. Experimental and theoretical investigation in the stereoselective synthesis of P-stereogenic phosphine oxides. Chemistry - A European Journal, 2015, 21 (25), pp.9057-9061. ⟨10.1002/chem.201501324⟩. ⟨hal-01311828⟩
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ref_biblio: Julien Eng, Christophe Gourlaouen, Etienne Gindensperger, Chantal Daniel. Spin-Vibronic Quantum Dynamics for Ultrafast Excited-State Processes. Accounts of Chemical Research, 2015, 48 (3), pp.809-817. ⟨10.1021/ar500369r⟩. ⟨hal-02293126⟩
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ref_biblio: Megumi Kayanuma, Thibaut Stoll, Chantal Daniel, Fabrice Odobel, Jérôme Fortage, et al.. A computational mechanistic investigation of hydrogen production in water using the [Rh III (dmbpy) 2 Cl 2 ] + /[Ru II (bpy) 3 ] 2+ /ascorbic acid photocatalytic system. Physical Chemistry Chemical Physics, 2015, 17 (16), pp.10497 - 10509. ⟨10.1039/C4CP04949G⟩. ⟨hal-01650703⟩
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ref_biblio: Gabriel Marchand, Julien Eng, Igor Schapiro, Alessio Valentini, Luis Frutos, et al.. Directionality of Double-Bond Photoisomerization Dynamics Induced by a Single Stereogenic Center. Journal of Physical Chemistry Letters, 2015, 6 (4), pp.599-604. ⟨10.1021/jz502644h⟩. ⟨hal-02435555⟩
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ref_biblio: Charlotte Prud'Homme, Pierre Antoine, Olivier Moine, Elodie Turpin, Laure Huguenard, et al.. Earthworm calcite granules: a new tracker of millennial-timescale environmental changes in Last Glacial loess deposits. Journal of Quaternary Science, 2015, 30 (6), pp.529 - 536. ⟨10.1002/jqs.2797⟩. ⟨hal-01483526⟩
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ref_biblio: Charlotte Prud’homme, Pierre Antoine, Olivier Moine, Élodie Turpin, Laure Huguenard, et al.. Les biosphéroïdes calcitiques de vers de terre. Les Nouvelles de l'archéologie, 2015, 142, pp.5 - 8. ⟨10.4000/nda.3269⟩. ⟨hal-01483529⟩
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ref_biblio: V. Robert, V. Lainey, D. Pascu, A. Pasewaldt, J.-E. Arlot, et al.. A new astrometric measurement and reduction of USNO photographic observations of Phobos and Deimos: 1967–1997. Astronomy & Astrophysics - A&A, 2015, 582, pp.A36. ⟨10.1051/0004-6361/201526977⟩. ⟨hal-01459047⟩
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ref_biblio: Bruno Senjean, Stefan Knecht, Hans Jørgen Aa. Jensen, Emmanuel Fromager. Linear interpolation method in ensemble Kohn-Sham and range-separated density-functional approximations for excited states. Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2015, 92 (1), ⟨10.1103/PhysRevA.92.012518⟩. ⟨hal-03365350⟩
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ref_biblio: J.B. Stielow, C.A. Lévesque, K.A. Seifert, Wieland Meyer, L. Irinyi, et al.. One fungus, which genes? Development and assessment of universal primers for potential secondary fungal DNA barcodes. Persoonia, 2015, 35 (1), pp.242-263. ⟨10.3767/003158515X689135⟩. ⟨hal-01594853⟩
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ref_biblio: Thibaut Stoll, Carmen E. Castillo, Megumi Kayanuma, Martina Sandroni, Chantal Daniel, et al.. Photo-induced redox catalysis for proton reduction to hydrogen with homogeneous molecular systems using rhodium-based catalysts. Coordination Chemistry Reviews, 2015, 304-305, pp.20 - 37. ⟨10.1016/j.ccr.2015.02.002⟩. ⟨hal-01651401⟩
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ref_biblio: Sergio Vela Llausi, Maria Fumanal, Jordi Ribas-Ariño, Vincent Robert. On the zeroth-order hamiltonian for CASPT2 calculations of spin crossover compounds. Journal of Computational Chemistry, 2015, 37 (10), pp.947-953. ⟨10.1002/jcc.24283⟩. ⟨hal-03511540⟩
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ref_biblio: Dawei Zhang, Guohua Gao, Laure Guy, Vincent Robert, Jean-Pierre Dutasta, et al.. A fluorescent heteroditopic hemicryptophane cage for the selective recognition of choline phosphate. Chemical Communications, 2015, ⟨10.1039/c4cc09428j⟩. ⟨hal-01471009⟩
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ref_biblio: Dawei Zhang, Bastien Chatelet, Eloisa Serrano, Olivier Perraud, Jean-Pierre Dutasta, et al.. Insights into the Complexity of Weak Intermolecular Interactions Interfering in Host-Guest Systems. ChemPhysChem, 2015, 16 (14), pp.2931-2935. ⟨10.1002/cphc.201500610⟩. ⟨hal-01471592⟩
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2014

ref_biblio: Yann Cornaton, Emmanuel Fromager. Double hybrid density-functional theory using the coulomb-attenuating method. International Journal of Quantum Chemistry Symposium, 2014, 114 (18), pp.1199-1211. ⟨10.1002/qua.24682⟩. ⟨hal-01370025⟩
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ref_biblio: A. Domingo, D. Specklin, V. Rosa, S. Mameri, V. Robert, et al.. Probing the influence of the ligands on the magnetism of dinuclear manganese, Iron, and Chromium complexes supported by Aroylhydrazone. European Journal of Inorganic Chemistry, 2014, 15, pp.2552-2560. ⟨hal-01253940⟩
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ref_biblio: Vincent Robert-Pélissier, V. Lainey, Dan Pascu, Jean-Eudes Arlot, Jean-Pierre de Cuyper, et al.. Astrometric observations of Phobos and Deimos during the 1971 opposition of Mars. Astronomy & Astrophysics - A&A, 2014, 572, pp.A104. ⟨10.1051/0004-6361/201424384⟩. ⟨hal-01137773⟩
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ref_biblio: Thibaut Véry, David Ambrosek, Miho Otsuka, Christophe Gourlaouen, Xavier Assfeld, et al.. Photophysical Properties of Ruthenium(II) Polypyridyl DNA Intercalators: Effects of the Molecular Surroundings Investigated by Theory. Chemistry - A European Journal, 2014, 20 (40), pp.12901-12909. ⟨10.1002/chem.201402963⟩. ⟨hal-02187418⟩
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2013

ref_biblio: Laurène Beauvalet, Vincent Robert, Valery Lainey, Jean-Eudes Arlot, François Colas. ODIN: a new model and ephemeris for the Pluto system. Astronomy & Astrophysics - A&A, 2013, 553 (id.A14), 22 p. ⟨10.1051/0004-6361/201220654⟩. ⟨hal-00817789⟩
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ref_biblio: H Cardinal, M Dieudé, N Brassard, S Qi, N Patey, et al.. Antiperlecan antibodies are novel accelerators of immune-mediated vascular injury.. American Journal of Transplantation, 2013, 13 (4), pp.861-74. ⟨10.1111/ajt.12168⟩. ⟨pasteur-01130364⟩
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ref_biblio: Agisilaos Chantzis, Thibaut Véry, Chantal Daniel, Antonio Monari, Xavier Assfeld. Theoretical evidence of photo-induced charge transfer from DNA to intercalated ruthenium (II) organometallic complexes. Chemical Physics Letters, 2013, 578, pp.133-137. ⟨10.1016/j.cplett.2013.05.068⟩. ⟨hal-02189217⟩
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ref_biblio: F. Lavigne, Jean-Philippe Degeai, Jean-Christophe Komorowski, S. Guillet, V. Robert, et al.. Source of the great AD 1257 mystery eruption unveiled, Samalas volcano, Rinjani Volcanic Complex, Indonesia. Proceedings of the National Academy of Sciences of the United States of America, 2013, 110 ((42):), pp.16742-16747 (IF 9,737). ⟨hal-00904572⟩
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ref_biblio: Martina Sandroni, Megumi Kayanuma, Mateusz Rebarz, Huriye Akdas-Kilig, Yann Pellegrin, et al.. Heteroleptic diimine copper(i) complexes with large extinction coefficients: synthesis, quantum chemistry calculations and physico-chemical properties.. Dalton Transactions, 2013, 42 (40), pp.14628-14638. ⟨10.1039/c3dt51288f⟩. ⟨hal-00861248⟩
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ref_biblio: Alexandrina Stoyanova, Andrew M. Teale, Julien Toulouse, Trygve Helgaker, Emmanuel Fromager. Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory. The Journal of Chemical Physics, 2013, 139, pp.134113. ⟨hal-00967719⟩
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2012

ref_biblio: Jean-Eudes Arlot, Josselin Desmars, Valéry Lainey, Vincent Robert. The astrometry of the natural planetary satellites applied to their dynamics before and after Gaia. Planetary and Space Science, 2012, 73 (1), pp.66-69. ⟨10.1016/j.pss.2012.10.002⟩. ⟨hal-02944919⟩
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ref_biblio: Jean-Eudes Arlot, Josselin Desmars, Valéry Lainey, Vincent Robert. The astrometry of the natural planetary satellites applied to their dynamics before and after Gaia. Planetary and Space Science, 2012, 73 (1), pp.66-69. ⟨10.1016/j.pss.2012.10.002⟩. ⟨hal-02869611⟩
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ref_biblio: Julie Dabkowski, Nicole Limondin-Lozouet, Pierre Antoine, Julian Andrews, Alina Marca-Bell, et al.. Climatic variations in MIS 11 recorded by stable isotopes and trace elements in a French tufa (La Celle, Seine Valley). Journal of Quaternary Science, 2012, 27 (8), pp.790 - 799. ⟨10.1002/jqs.2567⟩. ⟨hal-01485572⟩
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ref_biblio: Megumi Kayanuma, Narayan Bera, Martina Sandroni, Yann Pellegrin, Errol Blart, et al.. Structures and spectral properties of heteroleptic copper (I) complexes: A theoretical study based on density functional theory. Comptes Rendus. Chimie, 2012, 15 (2-3, SI), pp.255-266. ⟨10.1016/j.crci.2011.10.010⟩. ⟨hal-02142703⟩
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ref_biblio: Bojan Kozlevcar, Nives Kitanovski, Zvonko Jaglicic, Nuno A. G. Bandeira, Vincent Robert, et al.. Cis-trans isomeric and polymorphic effects on the magnetic properties of water-bridged copper coordination chains.. Inorganic Chemistry, 2012, 51 (5), pp.3094-102. ⟨10.1021/ic202568y⟩. ⟨hal-00753771⟩
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2011

ref_biblio: Yann Pellegrin, Martina Sandroni, Errol Blart, A. Planchat, Michel Evain, et al.. New heteroleptic bis-phenanthroline copper(I) complexes with dipyridophenazine or imidazole fused phenanthroline ligands: spectral, electrochemical, and quantum chemical studies. Inorganic Chemistry, 2011, 50, pp.11309 - 11322. ⟨10.1021/ic2006343⟩. ⟨hal-00725630⟩
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ref_biblio: Vincent Robert-Pélissier, Jean-Pierre de Cuyper, Jean-Eudes Arlot, Georges de Decker, Jean Guibert, et al.. A new astrometric reduction of photographic plates using the DAMIAN digitizer: improving the dynamics of the Jovian system. Monthly Notices of the Royal Astronomical Society, 2011, 415 (1), pp.701-708. ⟨10.1111/j.1365-2966.2011.18747.x⟩. ⟨hal-01137755⟩
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ref_biblio: Y. Xiao, C. Bedet, V. Robert, T. Simonet, S. Dunkelbarger, et al.. Caenorhabditis elegans chromatin-associated proteins SET-2 and ASH-2 are differentially required for histone H3 Lys 4 methylation in embryos and adult germ cells. Proceedings of the National Academy of Sciences of the United States of America, 2011, 108 (20), pp.8305-8310. ⟨10.1073/pnas.1019290108⟩. ⟨hal-02368403⟩
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2010

ref_biblio: P. Bonants, E. Groenewald, Jean Yves Rasplus, M. Maes, P. de Vos, et al.. QBOL: a new EU project focusing on DNA barcoding of Quarantine organisms. Bulletin OEPP, 2010, 40 (1), pp.30-33. ⟨10.1111/j.1365-2338.2009.02350.x⟩. ⟨hal-02664227⟩
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2009

ref_biblio: Emmanuel Fromager, Florent Réal, Pernilla Wåhlin, Ulf Wahlgren, Hans Jørgen Aa Jensen. On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating $f^0$ actinide species.. The Journal of Chemical Physics, 2009, 131, pp.054107. ⟨10.1063/1.3187032⟩. ⟨hal-01373289⟩
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2008

ref_biblio: C. Esnault, M. Boulesteix, J.B. Duchemin, A.A. Koffi, F. Chandre, et al.. High Genetic Differentiation between the M and S Molecular Forms of Anopheles gambiae in Africa. PLoS ONE, 2008, 3, pp.1-7. ⟨hal-00428192⟩
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2007

ref_biblio: Emmanuel Fromager, Julien Toulouse, Hans Jørgen Aa. Jensen. On the universality of the long-/short-range separation in multiconfigurational density-functional theory. The Journal of Chemical Physics, 2007, 126 (7), pp.074111. ⟨10.1063/1.2566459⟩. ⟨hal-03740061⟩
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ref_biblio: J.Y. Jamin, R. Ducrot, Nicolas Faysse, Patrice Garin, F. Molle, et al.. L'eau des villes et l'eau des champs. La Recherche, 2007, Mars 2007 (406), pp.30. ⟨hal-02591686⟩
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ref_biblio: Richard E. Paul, S. Bonnet, C. Boudin, T. Tchuinkam, V. Robert. Aggregation in malaria parasites places limits on mosquito infection rates. Infection, Genetics and Evolution, 2007, 7 (5), pp.577-586. ⟨10.1016/j.meegid.2007.04.004⟩. ⟨pasteur-03661276⟩
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2006

ref_biblio: T. Hairie, V. Robert, S. Petit. Predicting P 31 NMR spectra: A tool to clarify magnetic exchange pathways in oxovanadium d 1 phosphate. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2006, 74 (5), ⟨10.1103/PhysRevB.74.052408⟩. ⟨hal-01906902⟩
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ref_biblio: Coralie Martin, O. Bain, N. Jouvenet, V. Raharimanga, V. Robert, et al.. First report of Litomosa spp. (Nematoda: Filarioidea) from malagasy bats; review of the genus and relationships between species. Parasite, 2006, 13 (1), pp.3-10. ⟨10.1051/parasite/2006131003⟩. ⟨mnhn-02506606⟩
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2003

ref_biblio: E. Eklou-Kalonji, Mireille Andriamihaja, Pierrette P. Reinaud, Camille Mayeur, Sylvaine S. Camous, et al.. Prostaglandin-independent effects of aspirin on cell cycle and putrescine synthesis in human colon carcinoma cells. Canadian Journal of Physiology and Pharmacology, 2003, 81 (5), pp.443-450. ⟨hal-02677174⟩
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ref_biblio: Richard E. Paul, F. Ariey, V. Robert. The evolutionary ecology of Plasmodium. Ecology Letters, 2003, 6 (9), pp.866-880. ⟨10.1046/j.1461-0248.2003.00509.x⟩. ⟨pasteur-03661314⟩
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2001

ref_biblio: L.M. Lawson-Daku, S.A. Borshch, V. Robert, B. Bigot. Magnetostructural correlations and spin model of (VO)2P2O7. Physical Review B: Condensed Matter and Materials Physics (1998-2015), 2001, 63, pp.174439. ⟨hal-00007105⟩
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ref_biblio: V. Robert, B. Mouillé, Camille Mayeur, M. Michaud, Francois F. Blachier. Effects of the garlic compound diallyl disulfide on the metablism, adherence and cell cycle of HT-29 colon carcinoma cells : evidence of sensitive and resistant sub-populations. Carcinogenesis, 2001, 22 (8), pp.1155-1161. ⟨hal-02674912⟩
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2000

ref_biblio: L.M. Lawson-Daku, S.A. Borshch, V. Robert, B. Bigot. Theoretical analysis of the vanadyl pyrophosphate (VO)2P2O7 31P NMR spectra. Chemical Physics Letters, 2000, 330, pp.423-432. ⟨hal-00006989⟩
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ref_biblio: V. Robert, S. Petit, S.A. Borshch, B. Bigot. Theoretical analysis of 31P NMR chemicaal shiftfs in vanadium phosphorus oxides. Journal of Physical Chemistry A, 2000, 104, pp.4586-4591. ⟨hal-00006990⟩
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1999

ref_biblio: B. Mouillé, E. Morel, V. Robert, G. Guihot-Joubrel, Francois F. Blachier. Metabolic capacity for L-citrulline synthesis from ammonia in rat isolated colonocytes. BBA - Biochimica et Biophysica Acta, 1999, 1427, pp.401-407. ⟨hal-02684005⟩
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ref_biblio: V. Robert, S. Petit, S.A. Borshch. Electron redistribution in Pt2(dta)4I: from building blocks to the infinite chain. A theoretical investigation of possible peierls distortions. Inorganic Chemistry, 1999, 38, pp.1573-1578. ⟨hal-00006869⟩
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ref_biblio: V. Robert. Electron tunneling: a scattering problem and a chemical approach. Interpretation of STM O2 image. Journal of Physical Chemistry B, 1999, 103, pp.6805-6810. ⟨hal-00007026⟩
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1998

ref_biblio: Francois F. Blachier, Delphine Briand, M. Selamnia, V. Robert, G. Guihot, et al.. Differential inhibitory effects of three nitric oxide donors on ornithine decarboxylase activity in human colon carcinoma cells. Biochemical Pharmacology, 1998, 55 (8), pp.1235-1239. ⟨hal-02689414⟩
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ref_biblio: S.A. Borshch, K. Prassides, V. Robert, A.O. Solonenko. Valence distribution and structural distortions in MMX chain compounds. The Journal of Chemical Physics, 1998, 109, pp.4562-4568. ⟨hal-00006688⟩
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ref_biblio: V. Robert, H.P. Awono-Ambene, J. Thioulouse. Ecology of larval mosquitoes with special reference to Anopheles arabiensis (Diptera: Culcidae) in market-garden wells in urban Dakar Senegal. Journal of Medical Entomology, 1998, 35, pp.948-955. ⟨hal-00428477⟩
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ref_biblio: M. Selamnia, Camille Mayeur, V. Robert, Francois F. Blachier. Alpha-difluoromethylornithine (DFMO) as a potent arginase activity inhibitor in human colon carcinoma cells. Biochemical Pharmacology, 1998, 55 (8), pp.1241-1245. ⟨hal-02690446⟩
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ref_biblio: M. Selamnia, V. Robert, Camille Mayeur, Serge Delpal, Francois F. Blachier. De novo synthesis of arginine and ornithine from citrulline in human colon carcinoma cells: Metabolic fate of L-ornithine. Biochimica et Biophysica Acta (BBA) - General Subjects, 1998, 1425, pp.93-102. ⟨hal-02691603⟩
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ref_biblio: M. Selamnia, V. Robert, Camille Mayeur, P.H. Duée, Francois F. Blachier. Effects of L-valine on growth of polyamine metabolism in human colon carcinoma cells. Biochimica et Biophysica Acta (BBA) - General Subjects, 1998, 1379, pp.151-160. ⟨hal-02686761⟩
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1997

ref_biblio: M.T. Green, V. Robert, J.K. Burdett. The temperature-dependence of charge carrier concentrations in low-dimensional metals: a breathing band gap model. Journal of Physical Chemistry B, 1997, 101, pp.10290-10294. ⟨hal-00006806⟩
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ref_biblio: V. Robert, S.A. Borshch, B. Bigot. Role of mixed-valence state in vanadium phosphates catalysts. Journal of Molecular Catalysis A: Chemical, 1997, 119, pp.327-333. ⟨hal-00006492⟩
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1996

ref_biblio: Francois F. Blachier, V. Robert, M. Selamnia, Camille Mayeur, P.H. Duée. Sodium nitroprusside inhibits proliferation and putrescine synthesis in human colon carcinoma cells. FEBS Letters, 1996, 396, pp.315-318. ⟨hal-02694982⟩
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ref_biblio: V. Robert, S.A. Borshch, B. Bigot. Halogen-bridged mixed valence linear-chain complexes: molecular orbital model of electron localization. Inorganic Chemistry, 1996, 35, pp.3913-3916. ⟨hal-00006409⟩
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ref_biblio: V. Robert, S.A. Borshch, B. Bigot. Molecular orbital model of electron delocalization in mixed-valence trimeric clusters. The Journal of physical chemistry, 1996, 100, pp.580-584. ⟨hal-00006374⟩
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ref_biblio: V. Robert, S.A. Borshch, B. Bigot. Four-nuclear mixed-valence vanadium clusters: divergence of phenomenological and molecular orbital models. Chemical Physics, 1996, 210, pp.401-411. ⟨hal-00006426⟩
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1995

ref_biblio: Francois F. Blachier, M. Selamnia, V. Robert, H. M'Rabet-Touil, P.H. Duée. Metabolism of L-arginine through polyamine and nitric oxide synthase pathways in proliferative or differentiated human colon carcinoma cells. Biochimica et Biophysica Acta - Molecular Cell Research, 1995, 1268, pp.255-262. ⟨hal-02708932⟩
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ref_biblio: H. M'Rabet-Touil, Francois F. Blachier, N. Hellio, V. Robert, Claire Cherbuy, et al.. Transglutaminase activity in enterocytes isolated from pig jejunum. Molecular and Cellular Biochemistry, 1995, 146, pp.49-54. ⟨hal-02704295⟩
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ref_biblio: V. Robert, S.A. Borshch, B. Bigot. MO model of electron delocalisation in mixed-valence bioctahedral clusters. Chemical Physics Letters, 1995, 236, pp.491-496. ⟨hal-00005917⟩
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Conference papers

2019

ref_biblio: S. Derousssi, X. Beguin, Alexis Bosson, T. Didier, Thierry Kitou, et al.. OVSG's instrumental networks. Caribbean Science and Innovation Meeting 2019, Oct 2019, Le Gosier, Guadeloupe. ⟨hal-02898867⟩
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ref_biblio: D. Montoir, Mehdi Amoura, A. Ababsa Z. E., M. Vishwanatha T., E. Yen-Pon, et al.. ”Tag and modify” strategy for the Pd-catalyzed Thioglycoconjugation of peptides. Noncanonical amino acids (ncAAs): Tools for biological and biophysical investigations, Oct 2019, Paris, France. ⟨hal-02892775⟩
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ref_biblio: R. Moretti, D. Moune, V. Robert, Magali Bonifacie, D.E. Jessop, et al.. Soliciting hydrothermal systems. Caribbean Science and Innovation Meeting 2019, Oct 2019, Pointe-à-Pitre (Guadeloupe), France. ⟨hal-02429775⟩
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ref_biblio: L. Mouawad, P.A. Hervieuxt, C. Dal Cappello, J. Pansanel, V. Robert, et al.. Electron impact ionization of pyrimidine: differential and total cross sections. 31st International Conference on Photonic, Electronic, and Atomic Collisions, Jul 2019, Deauville, France. pp.152073, ⟨10.1088/1742-6596/1412/15/152073⟩. ⟨hal-02870854⟩
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ref_biblio: L. Mouawad, P.A. Hervieux, C. Dal Cappello, J. Pansanel, V. Robert, et al.. A quantum approach to calculate differential and total cross sections for electron impact ionization of molecular targets. 31st International Conference on Photonic, Electronic, and Atomic Collisions, Jul 2019, Deauville, France. pp.152074, ⟨10.1088/1742-6596/1412/15/152074⟩. ⟨hal-02870855⟩
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ref_biblio: Y. Xu, C. Dessert, R. Losno, F. Monna, V. Robert, et al.. Saharan dust inputs to North- Western Atlantic Ocean with three years time series. Goldschmidt 2019, Aug 2019, Barcelone, Spain. ⟨hal-02331862⟩
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ref_biblio: Y. Xu, R. Losno, C. Dessert, F. Monna, V. Robert, et al.. Saharan dust inputs to western North Atlantic Ocean with three years time series. EGU, Apr 2019, Vienne, Austria. ⟨hal-02331845⟩
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2018

ref_biblio: T. Legris, V. Robert, T. Manson, C. von Kotze, R. Purgus, et al.. INCREASED BIOAVAILABILITY OF TACROLIMUS IN OBESE KIDNEY TRANSPLANT RECIPIENTS: A CASE-CONTROL STUDY. Research Areas:Surgery; Transplantation, 2018, *, France. pp.12. ⟨hal-01791670⟩
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ref_biblio: T.M. Vishwanatha, C. Decourt, V.P. Terrier, V. Robert, M. Galibert, et al.. Rational design of kisspeptin analogs for the control of reproduction. 4th Belgian Peptide Group Meeting, Feb 2018, Bruxelles, Belgium. ⟨hal-02892809⟩
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ref_biblio: Y. Xu, R. Losno, C. Dessert, F. Monna, V. Robert, et al.. Saharan dust inputs to western North Atlantic Ocean with three years time series. AGU, Dec 2018, Washington DC, United States. ⟨hal-02331827⟩
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2017

ref_biblio: Jean-Eudes Arlot, Vincent Robert, Valéry Lainey, Coralie Neiner, Nicolas Thouvenin. New Astronomical Reduction of Old Observations (the NAROO project). Astrometry and Astrophysics in the Gaia sky, Apr 2017, Nice, France. pp.83-84. ⟨hal-02323670⟩
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2012

ref_biblio: V. Huard, E. Pion, F. Cacho, D. Croain, V. Robert, et al.. A predictive bottom-up hierarchical approach to digital system reliability. IEEE International Reliability Physics Symposium (IRPS'12), Apr 2012, Anaheim, CA, United States. pp.4B.1.1 - 4B.1.10, ⟨10.1109/IRPS.2012.6241830⟩. ⟨hal-00747363⟩
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ref_biblio: Vincent Robert. Study of USNO photographic plates of the Galilean satellites. International Workshop NAROO-GAIA "A new reduction of old observations in the Gaia era", Paris Observatory, Jun 2012, Paris, France. pp. 29-35. ⟨hal-00758132⟩
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ref_biblio: Vincent Robert, Jean-Eudes Arlot. Improvements of astrometry from ground based observatories. GAIA-FUN-SSO 2012: Second "Gaia Follow-up Network for Solar System Objects", Workshop held at IMCCE / Paris Observatory, 2012, September 19 - 21, Sep 2012, Paris, France. pp. 107-110. ⟨hal-00836618⟩
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ref_biblio: Vincent Robert. The level of accuracy for digitizers dedicated to astrometry. International Workshop NAROO-GAIA "A new reduction of old observations in the Gaia era", Paris Observatory, Jun 2012, Paris, France. pp. 121-125. ⟨hal-00758260⟩
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2011

ref_biblio: N.R. Amador, V. Huard, E. Pion, F. Cacho, D. Croain, et al.. Bottom-up digital system-level reliability modeling. Custom Integrated Circuits Conference (CICC'11), Sep 2011, San Jose, Ca., United States. pp.1 - 4, ⟨10.1109/CICC.2011.6055343⟩. ⟨hal-00651936⟩
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ref_biblio: Natalie Fournier, A. Reboulleau, V. Robert, B. Vedie, Jean-Louis Paul, et al.. Impact of omega 3 and omega 6 fatty acids membrane incorporation on cholesterol efflux from cultured rat cardiomyocytes. 79. European Atherosclerosis Society Congress (EAS 2011), Jun 2011, Gothenburg, Sweden. 204 p. ⟨hal-02750069⟩
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2010

ref_biblio: V. Durand, S. Ramond, A. Lioddine, C. Marlin, E. Gauthier, et al.. Approche hydrodynamique et géochimique des échanges hydriques entre la Loire et sa nappe alluviale (secteur de Châteauneuf-sur-Loire). RST 2010, Oct 2010, Bordeaux, France. ⟨hal-00509564⟩
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2009

ref_biblio: Khalid Addi, Daniel Goeleven, V. Robert, Sébastien Jaquemet, Michel Potier, et al.. Can we predict top predator population dynamics using oceanic forcing and dynamical systems? An application with tuna and marine birds in the western Indian Ocean. 6th Western Indian Ocean Marine Science Association Scientific Symposium, Aug 2009, Saint Denis, Réunion. ⟨hal-00866740⟩
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2000

ref_biblio: V. Robert. Electron transfer processes: new pictures for conductivity in linear chains and STM images. Univerity of Cambridge, department of Chemistry, Prof King D, 1/02/00, 2000, Cambridge, United Kingdom. ⟨hal-00011950⟩
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1999

ref_biblio: V. Robert, Carine Huard, Catherine C. Chaumontet, Frederic Véran, M. Thomas, et al.. In vitro anti-proliferative and pro-communicative properties of DADS. Congrès, Aug 1999, Washington, France. 2 p. ⟨hal-02838219⟩
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1996

ref_biblio: V. Robert, S.A. Borshch. Modèles d'orbitales moléculaires pour l'étude de la délocalisation électronique dans les composés à valence mixte d'intérêt catalytique. Journées Centre-Est de la Société Française de Chimie, 19/09/96 - 20/09/96, 1996, Villeurbanne, France. ⟨hal-00010918⟩
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Book sections

2021

ref_biblio: Chantal Daniel. Density Functional Theories and Coordination Chemistry. Edwin C. Constable; Gerard Parkin; Lawrence Que Jr. Comprehensive Coordination Chemistry III : Volume 2 - Fundamentals: Characterization Methods, Theoretical Analysis, and Case Studies, 2, Elsevier, pp.256-275, 2021, 978-0-08-102689-2. ⟨10.1016/B978-0-12-409547-2.14828-0⟩. ⟨hal-03716953⟩
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2019

ref_biblio: Theodore Simos, Theodore Simos, George Maroulis, Michiko Atsumi, Leticia González, et al.. Molecular light switch effect in Ru(II) complexes intercalated in DNA: a theoretical study. Recent Progress in Computational Sciences and Engineering, 1, CRC Press, 2019, 9780429070655. ⟨10.1201/9780429070655⟩. ⟨hal-05068071⟩
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2018

ref_biblio: P. Antoine, G. Jamet, S. Coutard, O. Moine, G. Guerin, et al.. Stratigraphie, paléoenvironnements et chronostratigraphie. E. GOVAL, D. HERISSON (dir.) « Les chasseurs des steppes durant le dernier glaciaire en France septentrionale paléoenvironnement, techno-économie, approche fonctionnelle et spatiale du gisement d’Havrincourt », 141, ERAUL, pp.31-74, 2018, 978-2-930495-27-9. ⟨hal-02174657⟩
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ref_biblio: P. Antoine, G. Jamet, S. Coutard, O. Moine, G. Guerin, et al.. Chapitre 2 : stratigraphie, paléoenvironnements et chronostratigraphie.. E. GOVAL, D. HERISSON (dir.) « Les chasseurs des steppes durant le dernier glaciaire en France septentrionale paléoenvironnement, techno-économie, approche fonctionnelle et spatiale du gisement d’Havrincourt, ERAUL 141, Etudes et recherches archéologiques de l’Université de Liège, pp.31-74, 2018. ⟨hal-02889746⟩
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2015

ref_biblio: Chantal Daniel. Absorption Spectroscopy, Emissive Properties and Ultrafast Intersystem Crossing Processes in Transition metal Complexes : TD-DFT and Spin-Orbit Coupling. Nicolas Ferré, Michael Filatov, Miquel Huix-Rotllant. Density Functional Methods for Excited States, 368, Springer International; Topics in Current Chemistry, pp.377-414, 2015, 978-3-319-22080-2. ⟨10.1007/978-3-319-22081-9⟩. ⟨hal-05068098⟩
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2013

ref_biblio: M. Verdaguer, V. Robert. Fundamentals, Principles, and Concepts of Molecular Magnetism and Spintronics. Comprehensive Inorganic Chemistry II, Elsevier, pp.131--189, 2013, 978-0-08-096529-1. ⟨10.1016/B978-0-08-097774-4.00819-6⟩. ⟨hal-01765696⟩
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Patents

2006

ref_biblio: I. Texier-Nogues, V. Robert, J.L. Coll, A. Imberty. Saccharide fluorescent substrates, preparation method and uses thereof. Patent n° : EP1904847. 2006. ⟨hal-00396660⟩
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2005

ref_biblio: I. Texier-Nogues, V. Robert, J.L. Coll, A. Imberty. Substrats fluorescents saccharidiques, leur procédé de préparation et leurs utilisations. Patent n° : FR2888938. 2005. ⟨hal-00306061⟩
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Poster communications

2019

ref_biblio: S. Derousssi, X. Beguin, Alexis Bosson, T. Didier, Thierry Kitou, et al.. OVSG's instrumental networks. Caribbean Science and Innovation Meeting 2019, Oct 2019, Pointe-à-Pitre (Guadeloupe), France. ⟨hal-02424735⟩
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ref_biblio: D. Moune, V. Robert, R. Moretti, A. Burtin, G. Ucciani, et al.. Multigas survey from low-T° fumaroles in a tropical environment.. Caribbean Science and Innovation Meeting 2019, Oct 2019, Pointe-à-Pitre (Guadeloupe), France. ⟨hal-02429783⟩
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ref_biblio: T.M. Vishwanatha, D. Montoir, Mehdi Amoura, Z. El Ababsa, E. Yen-Pon, et al.. Synthesis of aryl-thioglycopeptides through chemoselective Pd-catalyzed conjugation. 26. American Peptide Symposium (APS 2019), Jun 2019, Monterey, Californie, United States. ⟨hal-02893419⟩
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ref_biblio: T.M. Vishwanatha, D. Montoir, Mehdi Amoura, Z. El Ababsa, E. Yen-Pon, et al.. Synthesis of aryl-thioglycopeptides through chemoselective Pd-catalyzed conjugation. 21. Réunion du Groupe Français des Peptides et des Protéines (GFPP21), May 2019, Amboise, France. ⟨hal-02893488⟩
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ref_biblio: Y. Xu, Celine Dessert, R. Losno, F. Monna, V. Robert, et al.. Saharan dusts inputs to north-western atlantic ocean with three years time series. Caribbean Science and Innovation Meeting 2019, Oct 2019, Pointe-à Pitre (Guadeloupe), France. ⟨hal-02463358⟩
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2018

ref_biblio: C. Decourt, V. Robert, Didier Lomet, V. Aucagne, Massimiliano Beltramo. The kisspeptin analog C6 triggers ovulation in non-breeding ewe in the absence of progestogen priming. 9. International Congress of Neuroendocrinology (ICN 2018), Jul 2018, Toronto, Canada. ⟨hal-02894264⟩
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ref_biblio: T.M. Vishwanatha, C. Decourt C, V. Robert, M. Galibert, J.-B. Madinier, et al.. Long-lasting increase of gonadotropins by rational design of lipophilic kisspeptin analogs. 2018 International Symposium on Chemical Biology, Jan 2018, Genève, Switzerland. ⟨hal-02894282⟩
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ref_biblio: T.M. Vishwanatha, C. Decourt, V.P. Terrier, V. Robert, J.-B. Madinier, et al.. Rational design of kisspeptin analogs for the control of the reproductive system. 25th SCT Young Research Fellows meeting, Mar 2018, Orléans, France. ⟨hal-02894277⟩
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2017

ref_biblio: C. Decourt, V. Robert, D. Lomet, Vincent Aucagne, G. Anderson, et al.. Pattern of LH secretion after repeated treatment with kisspeptin analog C6 reveals differential sensitivity between mice and ewes. 42. Colloque de la société de neuroendocrinologie (SNE 2017), Sep 2017, Dijon, France. ⟨hal-02894288⟩
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2016

ref_biblio: M. Beltramo, V. Robert, D. Lomet, K. Anger, M. Galibert, et al.. A new selective kisspeptin analog, C6, that advance puberty in mice and stimulate fertile ovulation in ewe. British Society for Neuroendocrinology Annual Meeting, Sep 2016, Glasgow, United Kingdom. ⟨hal-02453336⟩
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1998

ref_biblio: Camille Mayeur, V. Robert, Delphine Briand, Francois F. Blachier, X. Leschelle. Le nitroprussiate de sodium à très faible dose inhibe la prolifération des cellules de carcinome colique humain : effet du monoxyde d'azote. NO, du fondamental à la thérapeuthique, Mar 1998, Palais des congrès Paris, France. 1 p., 1998. ⟨hal-02842198⟩
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Reports

2010

ref_biblio: Marianne Hérard, Alain Bertho, Sylvain Lazarus, V. Robert. Plaine Commune, Evry Centre Essone et le Grand Porto Alegre. Le territoire contre la ville ?. [Rapport de recherche] PUCA, Ministère de l'Ecologie, du Développement durable, des transports et du logement. 2010. ⟨hal-00731453⟩
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Theses

2011

ref_biblio: Vincent Robert-Pélissier. Astrométrie des satellites naturels : analyse d'observations anciennes pour l'amélioration des paramètres dynamiques des systèmes planétaires. Planétologie et astrophysique de la terre [astro-ph.EP]. Observatoire de Paris, 2011. Français. ⟨NNT : ⟩. ⟨tel-00690338⟩
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