Publications

Journal articles

2024

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Agnideep Das, Oscar Charpentier, Cheriehan Hessin, Jules Schleinitz, David Pianca, et al.. Site‐Selective Radical Aromatic C–H Functionalization of Alloxazine and Flavin through Ground‐State Single Electron Transfer. Angewandte Chemie International Edition, 2024, ⟨10.1002/anie.202403417⟩. ⟨hal-04568162⟩

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Evangelos Papangelis, Katrin Pelzer, Christophe Gourlaouen, Dominique Armspach, Pierre Braunstein, et al.. New Pyridine Dicarbene Ligands with Ring Expanded NHCs and their Nickel and Chromium Complexes. Chemistry - An Asian Journal, In press, ⟨10.1002/asia.202400169⟩. ⟨hal-04568163⟩

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2023

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Jordan L Appleton, Nolwenn Le Breton, Mary-Ambre Carvalho, Jean Weiss, Athanassios K Boudalis, et al.. Vanadyl(IV) porphyrin dimers with palladium(II) and platinum(II) linkages: syntheses, electronic properties and magnetic interactions between the two moieties. Crystal Growth & Design, 2023, 23 (3), pp.1689-1696. ⟨10.1021/acs.cgd.2c01270⟩. ⟨hal-04280346⟩

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Amy Edo-Osagie, Dylan Serillon, Federica Ruani, Xavier Barril, Christophe Gourlaouen, et al.. Multi-Responsive Eight-State Bis(acridinium-Zn(II) porphyrin) Receptor. Journal of the American Chemical Society, 2023, 145 (19), pp.10691-10699. ⟨10.1021/jacs.3c01089⟩. ⟨hal-04249015⟩

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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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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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Valerio Giuso, Elise Jouaiti, Cristina Cebrián, Sabrina Parant-Aury, Nathalie Kyritsakas, et al.. Symmetry‐Broken Charge‐Transfer Excited State in Homoleptic Zinc(II) Imidazo[1,2‐ a ]pyridine Complexes. ChemPhotoChem, 2023, 7 (8), ⟨10.1002/cptc.202300092⟩. ⟨hal-04372759⟩

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Abdelaziz Jouaiti, Lavinia Ballerini, Hsiang‐ling Shen, Ronan Viel, Federico Polo, et al.. Binuclear Copper(I) Complexes for Near‐Infrared Light‐Emitting Electrochemical Cells. Angewandte Chemie International Edition, 2023, 62 (38), ⟨10.1002/anie.202305569⟩. ⟨hal-04237725v2⟩

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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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A-C Perlbarg, J. Desmars, V Robert, D Hestroffer. NAROO program. Astronomy and Astrophysics - A&A, 2023, 680, pp.A41. ⟨10.1051/0004-6361/202347100⟩. ⟨hal-04538241⟩

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Yannick Port-Lougarre, Christophe Gourlaouen, Bertrand Vileno, Elena Gimenez-Arnau. Antioxidant Activity and Skin Sensitization of Eugenol and Isoeugenol: Two Sides of the Same Coin?. Chemical Research in Toxicology, In press, 36 (11), pp.1804-1813. ⟨10.1021/acs.chemrestox.3c00263⟩. ⟨hal-04271585⟩

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Gaël Printz, Dmytro Ryzhakov, Christophe Gourlaouen, Béatrice Jacques, Samir Messaoudi, et al.. First Use of Thiosquaramides as Polymerization Catalysts: Controlled ROP of Lactide Implicating Key Secondary Interactions for Optimal Performance. ChemCatChem, In press, ⟨10.1002/cctc.202301207⟩. ⟨hal-04295776⟩

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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. Journal of Chemical Physics, 2023, 159 (3), ⟨10.1063/5.0157746⟩. ⟨hal-04170578⟩

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Xuejuan Xu, Christophe Gourlaouen, Béatrice Jacques, Samuel Dagorne. Robust Two-Coordinate Zn(II) Organocations Supported by Bulky-Yet-Flexible IPr* Carbene: Synthesis, Structure, and Distinct Reactivity in Hydrosilylation Catalysis. Organometallics, 2023, 42 (19), pp.2813-2825. ⟨10.1021/acs.organomet.3c00282⟩. ⟨hal-04295782⟩

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Jeannine Yang, Valerio Giuso, Min-Chih Hou, Edwyn Remadna, Jérémy Forté, et al.. Biphenyl Au(III) Complexes with Phosphine Ancillary Ligands: Synthesis, Optical Properties, and Electroluminescence in Light-Emitting Electrochemical Cells. Inorganic Chemistry, 2023, 62 (12), pp.4903-4921. ⟨10.1021/acs.inorgchem.2c04293⟩. ⟨hal-04027421⟩

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2022

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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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Yi-Xuan Cao, Gan Zhu, Yiqun Li, Nolwenn Le Breton, Christophe Gourlaouen, et al.. Photoinduced Arylation of Acridinium Salts: Tunable Photoredox Catalysts for C-O Bond Cleavage. Journal of the American Chemical Society, 2022, 144 (13), pp.5902-5909. ⟨10.1021/jacs.1c12961⟩. ⟨hal-03632077⟩

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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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Aline Faucon, Françoise Hoegy, Noémie Werle, Christophe Gourlaouen, Gaëtan L.A. Mislin. Dipyridylamine-acetamide (Dpaa): A primary amine protecting group orthogonally cleavable under acidic conditions in the presence of t-butyloxycarbonyl (Boc) and t-butylester. Tetrahedron Letters, 2022, 96, pp.153758. ⟨10.1016/j.tetlet.2022.153758⟩. ⟨hal-03795448⟩

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Lea Gimeno, Brian Phelan, Emily Sprague-Klein, Thierry Roisnel, Errol Blart, et al.. A bulky and stable copper(I)-phenanthroline complex: impact of steric strain and symmetry on the excited state properties. Inorganic Chemistry, 2022, 61 (19), pp.7296-7307. ⟨10.1021/acs.inorgchem.1c03901⟩. ⟨hal-03690046⟩

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Christophe Gourlaouen, Jean-Philip Piquemal. On the Quantum Chemical Nature of Lead(II) "Lone Pair". Molecules, 2022, 27 (1), pp.27. ⟨10.3390/molecules27010027⟩. ⟨hal-03232340⟩

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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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Charly Gourlot, Alexis Gosset, Elise Glattard, Christopher Aisenbrey, Sabarinathan Rangasamy, et al.. Antibacterial Photodynamic Therapy in the Near-Infrared Region with a Targeting Antimicrobial Peptide Connected to a π-Extended Porphyrin. Optics Continuum , 2022, 8 (8), pp.1509-1520. ⟨10.1021/acsinfecdis.2c00131⟩. ⟨hal-03775697⟩

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Refka Guermazi, David Specklin, Christophe Gourlaouen, Pierre de Frémont, Samuel Dagorne. Two‐Coordinate NHC‐Supported Zn II Organocations: Steric and Electronic Tunability and Use in Alkyne Hydroboration Catalysis. European Journal of Inorganic Chemistry, 2022, 2022 (6), pp.e202101002. ⟨10.1002/ejic.202101002⟩. ⟨hal-03854035⟩

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Fengkai He, Christophe Gourlaouen, Huan Pang, Pierre Braunstein. Experimental and Theoretical Study of Ni II ‐ and Pd II ‐Promoted Double Geminal C(sp 3 )−H Bond Activation Providing Facile Access to NHC Pincer Complexes: Isolated Intermediates and Mechanism. Chemistry - A European Journal, 2022, 28 (41), ⟨10.1002/chem.202200507⟩. ⟨hal-04022380⟩

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Fengkai He, Christophe Gourlaouen, Huan Pang, Pierre Braunstein. Influence of the Flexibility of Nickel PCP‐Pincer Complexes on C−H and P−C Bond Activation and Ethylene Reactivity: A Combined Experimental and Theoretical Investigation. Chemistry - A European Journal, 2022, 28 (10), ⟨10.1002/chem.202104234⟩. ⟨hal-04020472⟩

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Johnny Hu, Sonia Adrouche, Etienne S. Gauthier, Christophe Gourlaouen, Nolwenn Le Breton, et al.. Dual‐Readout of the Mechanical Response of a bis‐Acridinium [2]Rotaxane. Chemistry - A European Journal, 2022, 28 (71), pp.e202202840. ⟨10.1002/chem.202202840⟩. ⟨hal-03858979⟩

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Elise Jouaiti, Valerio Giuso, Damien Cianfarani, Nathalie Kyritsakas, Christophe Gourlaouen, et al.. Bright V‐Shaped bis ‐Imidazo[1,2‐ a ]pyridine Fluorophores with Near‐UV to Deep‐Blue Emission. Chemistry - An Asian Journal, 2022, 17 (23), ⟨10.1002/asia.202200903⟩. ⟨hal-04020461⟩

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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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Fatma Sahli, Bertrand Vileno, Christophe Gourlaouen, Elena Giménez-Arnau. Autoxidized citronellol: free radicals as potential sparkles to ignite the fragrance induced skin sensitizing pathway. Food and Chemical Toxicology, 2022, 166, pp.113201. ⟨10.1016/j.fct.2022.113201⟩. ⟨hal-03693727⟩

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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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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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Saad Yalouz, Sajanthan Sekaran, Emmanuel Fromager, Matthieu Saubanère. Quantum embedding of multi-orbital fragments using the block-Householder transformation. Journal of Chemical Physics, 2022, 157 (21), pp.214112. ⟨10.1063/5.0125683⟩. ⟨hal-03936657⟩

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2021

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Nicolas Adet, David Specklin, Christophe Gourlaouen, Thibault Damiens, Béatrice Jacques, et al.. Towards Naked Zinc(II) in the Condensed Phase: A Highly Lewis Acidic Zn II Dication Stabilized by Weakly Coordinating Carborate Anions. Angewandte Chemie International Edition, In press, ⟨10.1002/anie.202012287⟩. ⟨hal-03098198⟩

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Hamze Almallah, Eric Brenner, Dominique Matt, Christophe Gourlaouen, Muriel Hissler. Stereochemical Control of Tricoordinate Copper(I) Complexes Based on N-(9-Alkyl-9-fluorenyl)-Substituted Heterocyclic Carbenes. Synthesis: Journal of Synthetic Organic Chemistry, 2021, 53 (10), pp.1785-1794. ⟨10.1055/s-0040-1706194⟩. ⟨hal-03217066⟩

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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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Clément Casalta, Christophe Gourlaouen, Samir Bouzbouz. Iridium(III) Catalyzed Z-Selective Allylic Arylation of α-Fluoro But-1-enoic Acid Amides via β-F-Elimination in Water. Organic Letters, 2021, ⟨10.1021/acs.orglett.1c02054⟩. ⟨hal-03447277⟩

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Amy Edo-Osagie, Daniel Sánchez-Resa, Dylan Serillon, Elisa Bandini, Christophe Gourlaouen, et al.. Synthesis, electronic and photophysical properties of a bisacridinium-Zn(II) porphyrin conjugate. Comptes Rendus. Chimie, 2021, 24 (S3), pp.1-9. ⟨10.5802/crchim.100⟩. ⟨hal-03357733⟩

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Maria Fumanal, Chantal Daniel, Etienne Gindensperger. Excited-state dynamics of [Mn(im)(CO) 3 (phen)] + : PhotoCORM, catalyst, luminescent probe?. Journal of Chemical Physics, 2021, 154 (15), pp.154102. ⟨10.1063/5.0044108⟩. ⟨hal-03224768⟩

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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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Christophe Gourlaouen, Benjamin Schweitzer, Chantal Daniel. Are luminescent Ru2+ chelated complexes selective coordinative sensors for the detection of heavy cations ?. Physical Chemistry Chemical Physics, 2021, ⟨10.1039/D1CP04442G⟩. ⟨hal-03515891⟩

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Fengkai He, Christophe Gourlaouen, Huan Pang, Pierre Braunstein. Imidazolium salts and [Pt(cod) 2 ]: from NHC hydrido complexes to the unprecedented olefinic tetrahedral cluster [Pt 4 (μ-H)(cod) 4 ]BF 4. Chemical Communications, 2021, 57 (78), pp.10039-10042. ⟨10.1039/D1CC03673D⟩. ⟨hal-03623995⟩

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Shaima Hkiri, Christophe Gourlaouen, Soufiane Touil, Ali Samarat, David Sémeril. 1,3,4-Oxadiazole-functionalized α -amino-phosphonates as ligands for the ruthenium-catalyzed reduction of ketones. New Journal of Chemistry, 2021, 45 (25), pp.11327-11335. ⟨10.1039/d1nj01861b⟩. ⟨hal-03411372⟩

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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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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 and Astrophysics - A&A, 2021, 645, pp.A76. ⟨10.1051/0004-6361/202039119⟩. ⟨hal-03470560⟩

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V. Lainey, A. Pasewaldt, V. Robert, P. Rosenblatt, R. Jaumann, et al.. Mars moon ephemerides after 14 years of Mars Express data. Astronomy and Astrophysics - A&A, 2021, 650, pp.A64. ⟨10.1051/0004-6361/202039406⟩. ⟨hal-03272998⟩

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V. Robert, J. Desmars, V. Lainey, J.-E. Arlot, A.-C. Perlbarg, et al.. The NAROO digitization center: Overview and scientific program. Astronomy and Astrophysics - A&A, 2021, 652, pp.A3. ⟨10.1051/0004-6361/202140472⟩. ⟨hal-03311346⟩

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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

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Hamzé Almallah, Eric Brenner, Dominique Matt, Mohamad Jahjah, Akram Hijazi, et al.. Anagostic Interactions in Alkyl-Fluorenyl-Substituted N‐Heterocyclic Carbene Complexes of Palladium(II). Australian Journal of Chemistry, 2020, 73 (6), pp.579-585. ⟨10.1071/CH19608⟩. ⟨hal-03716947⟩

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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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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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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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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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Emmanuel Fromager, Nikitas Gidopoulos, Paola Gori-Giorgi, Trygve Helgaker, Pierre-François Loos, et al.. Strong correlation in density functional theory: general discussion. Faraday Discussions, 2020, 224, pp.373-381. ⟨10.1039/D0FD90025G⟩. ⟨hal-03525562⟩

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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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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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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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J. Lichter, M. Silva E Sousa, N. Peter, F. Sahli, B. Vileno, et al.. Skin sensitisation to fragrance hydroperoxides: interplay between dendritic cells, keratinocytes and free radicals. British Journal of Dermatology, In press, ⟨10.1111/bjd.19685⟩. ⟨hal-03025743⟩

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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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Pierre-François Loos, Emmanuel Fromager. A weight-dependent local correlation density-functional approximation for ensembles. Journal of Chemical Physics, 2020, 152 (21), pp.214101. ⟨10.1063/5.0007388⟩. ⟨hal-02767551⟩

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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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Laëtitia Schoepff, Laure Monnereau, Stephanie Durot, Sébastien Jenni, Christophe Gourlaouen, et al.. A flexible bis‐Co(III) porphyrin cage as a bimetallic catalyst for the conversion of CO 2 and epoxides into cyclic carbonates. ChemCatChem, 2020, 12 (22), pp.5826-5833. ⟨10.1002/cctc.202001176⟩. ⟨hal-03413682⟩

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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

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Hamzé Almallah, Mélodie Nos, Virgile Ayzac, Eric Brenner, Dominique Matt, et al.. Complexes featuring N-heterocyclic carbenes with bowl-shaped wingtips. Comptes Rendus. Chimie, 2019, 22, pp.299 - 309. ⟨10.1016/j.crci.2019.01.008⟩. ⟨hal-03485024⟩

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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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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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Jean-Charles Bruyere, Christophe Gourlaouen, Lydia Karmazin, Corinne Bailly, Corinne Boudon, et al.. Synthesis and Characterization of Neutral and Cationic Magnesium Complexes Supported by NHC Ligands. Organometallics, 2019, 38 (14), pp.2748-2757. ⟨10.1021/acs.organomet.9b00304⟩. ⟨hal-02324082⟩

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Jean‐charles Bruyere, David Specklin, Christophe Gourlaouen, Rosita Lapenta, Luis Veiros, et al.. Cyclic(Alkyl)(Amino)Carbene (CAAC)‐Supported Zn Alkyls: Synthesis, Structure and Reactivity in Hydrosilylation Catalysis. Chemistry - A European Journal, 2019, 25 (34), pp.8061-8069. ⟨10.1002/chem.201900961⟩. ⟨hal-02324087⟩

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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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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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Killian Deur, Emmanuel Fromager. Ground and excited energy levels can be extracted exactly from a single ensemble density-functional theory calculation. Journal of Chemical Physics, 2019, 150 (9), pp.094106. ⟨10.1063/1.5084312⟩. ⟨hal-03525558⟩

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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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Henri-Pierre Jacquot de Rouville, Christophe Gourlaouen, Valérie Heitz. Self-Complementary and Narcissistic Self-Sorting of bis-Acridinium Tweezers. Dalton Transactions, 2019, 48, pp.8725 - 8730. ⟨10.1039/C9DT01465A⟩. ⟨hal-02156211⟩

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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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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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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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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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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-02288980⟩

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Nicolas Renard, Eric Brenner, Dominique Matt, Christophe Gourlaouen. Adaptive behaviour of a ditopic phosphine ligand. European Journal of Inorganic Chemistry, 2019, ⟨10.1002/ejic.201900571⟩. ⟨hal-02146481⟩

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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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Bradley Visser, Martin Beck, Peter Bornhauser, Gregor Knopp, Jeroen Anton van Bokhoven, et al.. New experimental and theoretical assessment of the dissociation energy of C 2. Molecular Physics, 2019, 117 (13), pp.1645-1652. ⟨10.1080/00268976.2018.1564849⟩. ⟨hal-03651683⟩

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2018

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Pengfei Ai, Kirill Yu. Monakhov, Jan van Leusen, Paul Kögerler, Christophe Gourlaouen, et al.. Linear Cu I 2 Pd 0 , Cu I Pd 0 2 , and Ag I 2 Pd 0 Metal Chains Supported by Rigid N , N ′-Diphosphanyl N-Heterocyclic Carbene Ligands and Metallophilic Interactions. Chemistry - A European Journal, 2018, 24 (35), pp.8787-8796. ⟨10.1002/chem.201801170⟩. ⟨hal-03651706⟩

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Pengfei Ai, Kirill Yu. Monakhov, Jan Van leusen, Paul Kögerler, Christophe Gourlaouen, et al.. Linear CuPd, CuPd, and AgPd Metal Chains Supported by Rigid ′-Diphosphanyl N-Heterocyclic Carbene Ligands and Metallophilic Interactions. Chemistry - A European Journal, 2018, 24 (35), pp.8697-8697. ⟨10.1002/chem.201802728⟩. ⟨hal-02302892⟩

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Mathilde Berville, Jimmy Richard, Monika Stolar, Sylvie Choua, Nolwenn Le Breton, et al.. A Highly Stable Organic Radical Cation. Organic Letters, 2018, 20 (24), pp.8004-8008. ⟨10.1021/acs.orglett.8b03579⟩. ⟨hal-01993520⟩

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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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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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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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Simon Dalgleish, Louisa Reissig, Yoshiaki Shuku, Christophe Gourlaouen, Sergio Vela Llausi, et al.. Controlling the crystallinity and crystalline orientation of “shuttlecock” naphthalocyanine films for near-infrared optoelectronic applications. Journal of Materials Chemistry C, 2018, 6 (8), pp.1959-1970. ⟨10.1039/C7TC05521H⟩. ⟨hal-03517713⟩

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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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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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Maria Fumanal, Felix Plasser, Sebastian Mai, Chantal Daniel, Etienne Gindensperger. Interstate vibronic coupling constants between electronic excited states for complex molecules. Journal of Chemical Physics, 2018, 148 (12), pp.124119. ⟨10.1063/1.5022760⟩. ⟨hal-02296559⟩

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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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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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Olga Kazarina, Christophe Gourlaouen, Lydia Karmazin, Alexander Morozov, Igor Fedushkin, et al.. Low valent Al(II)–Al(II) catalysts as highly active ε-caprolactone polymerization catalysts: indication of metal cooperativity through DFT studies. Dalton Transactions, 2018, 47 (39), pp.13800-13808. ⟨10.1039/C8DT02614A⟩. ⟨hal-03571946⟩

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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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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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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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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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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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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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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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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

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Mehboob Alam, Killian Deur, Stefan Knecht, Emmanuel Fromager. Combining extrapolation with ghost interaction correction in range-separated ensemble density functional theory for excited states. Journal of Chemical Physics, 2017, 147 (20), pp.204105. ⟨10.1063/1.4999825⟩. ⟨hal-03525560⟩

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Mathilde Berville, Sylvie Choua, Christophe Gourlaouen, Corinne Boudon, Laurent Ruhlmann, et al.. Flexible Viologen Cyclophanes: Odd/Even Effects on Intramolecular Interactions. ChemPhysChem, 2017, 18 (7), pp.796 - 803. ⟨10.1002/cphc.201700011⟩. ⟨hal-01639657⟩

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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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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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Fethi Elaieb, David Sémeril, Dominique Matt, Michel Pfeffer, Pierre-Antoine Bouit, et al.. Calix[4]arene-fused phospholes. Dalton Transactions, 2017, 46 (30), pp.9833-9845. ⟨10.1039/C7DT01899A⟩. ⟨hal-01558093⟩

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Fethi Elaieb, David Sémeril, Dominique Matt, Michel Pfeffer, Pierre-Antoine Bouit, et al.. Calix[4]arene-fused phospholes. Dalton Transactions, 2017, 46 (30), pp.9833-9845. ⟨10.1039/c7dt01899a⟩. ⟨hal-03545196⟩

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Anna-Bella Failloux, Ali Bouattour, Chafika Faraj, Filiz Gunay, Nabil Haddad, et al.. Surveillance of Arthropod-Borne Viruses and Their Vectors in the Mediterranean and Black Sea Regions Within the MediLabSecure Network.. Current tropical medicine reports, 2017, 4 (1), pp.27-39. ⟨10.1007/s40475-017-0101-y⟩. ⟨pasteur-01586381⟩

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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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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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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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Laure Monnereau, David Sémeril, Dominique Matt, Christophe Gourlaouen. Catalytic Behaviour of Calixarenylphosphanes in Nickel‐Catalysed Suzuki–Miyaura Cross‐Coupling. European Journal of Inorganic Chemistry, 2017, 2017 (3), pp.581-586. ⟨10.1002/ejic.201601351⟩. ⟨hal-03515914⟩

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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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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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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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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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David Specklin, Frédéric Hild, Christophe Fliedel, Christophe Gourlaouen, Luis Veiros, et al.. Accessing Two-Coordinate ZnII Organocations by NHC Coordination: Synthesis, Structure, and Use as π-Lewis Acids in Alkene, Alkyne, and CO2 Hydrosilylation. Chemistry - A European Journal, 2017, 23 (63), pp.15908-15912. ⟨10.1002/chem.201704382⟩. ⟨hal-02121109⟩

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David Specklin, Christophe Fliedel, Christophe Gourlaouen, Jean-Charles Bruyere, Teresa Avilés, et al.. N-Heterocyclic Carbene Based Tri-organyl-Zn-Alkyl Cations: Synthesis, Structures, and Use in CO2 Functionalization. Chemistry - A European Journal, 2017, 23 (23), pp.5509-5519. ⟨10.1002/chem.201605907⟩. ⟨hal-02121106⟩

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Sergi Vela, Martin Verot, Emmanuel Fromager, Vincent Robert. Electron transport through a spin crossover junction. Perspectives from a wavefunction-based approach. Journal of Chemical Physics, 2017, 146 (6), pp.064112. ⟨10.1063/1.4975327⟩. ⟨hal-01885987⟩

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B. Visser, M. Beck, P. Bornhauser, G. Knopp, J. A. van Bokhoven, et al.. Identification of a new low energy 1 u state in dicopper with resonant four-wave mixing. Journal of Chemical Physics, 2017, 147 (21), pp.214308. ⟨10.1063/1.5006107⟩. ⟨hal-03522130⟩

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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

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P. Ai, M. Mauro, C. Gourlaouen, S. Carrara, L. de Cola, et al.. Bonding, luminescence, metallophilicity in linear Au₃ and Au₂Ag chains stabilized by rigid diphosphanyl NHC ligands. Inorganic Chemistry, 2016, 55, pp.8527 - 8542. ⟨10.1021/acs.inorgchem.6b01095⟩. ⟨hal-01389172⟩

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Md. Alam, F. Bolze, C. Daniel, L. Flamigni, C. Gourlaouen, et al.. π-Extended diketopyrrolopyrrole–porphyrin arrays: one- and two-photon photophysical investigations and theoretical studies. Physical Chemistry Chemical Physics, 2016, 18 (31), pp.21954-21965. ⟨10.1039/c6cp01844k⟩. ⟨hal-03102883⟩

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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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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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Md. Alam, F. Bolze, C. Daniel, L. Flamigni, C. Gourlaouen, et al.. π-Extended diketopyrrolopyrrole–porphyrin arrays: one- and two-photon photophysical investigations and theoretical studies. Physical Chemistry Chemical Physics, 2016, 18 (31), pp.21954-21965. ⟨10.1039/c6cp01844k⟩. ⟨hal-02571331⟩

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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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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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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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Christophe Fliedel, Vitor Rosa, Bertrand Vileno, Nathalie Parizel, Sylvie Choua, et al.. Zwitterionic Cobalt Complexes with Bis(diphenylphosphino)(N-thioether)amine Assembling Ligands: Structural, EPR, Magnetic, and Computational Studies.. Inorganic Chemistry, 2016, 55 (9), pp.4183-4198. ⟨10.1021/acs.inorgchem.5b02889⟩. ⟨hal-01315379⟩

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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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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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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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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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Robert A. Robert, Nicholas J. Cooper, Stéphane Mathis, Christophe Le Poncin-Lafitte, Valéry Lainey, 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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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 and Astrophysics - A&A, 2016, 596, pp.A37. ⟨10.1051/0004-6361/201629807⟩. ⟨hal-02945295⟩

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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 and Astrophysics - A&A, 2016, 591, pp.A42. ⟨10.1051/0004-6361/201628246⟩. ⟨hal-02430481⟩

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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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Pierre-Thomas Skowron, Bernard Dumartin, Bernard Jeamet, Bernard Perret, Christophe Gourlaouen, et al.. On-Demand Cyclophanes: Substituent-Directed Self-Assembling, Folding, and Binding. Journal of Organic Chemistry, 2016, 81 (2), pp.654 - 661. ⟨10.1021/acs.joc.5b02605⟩. ⟨hal-01861706⟩

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Sergi Vela, Christophe Gourlaouen, Maria Fumanal, Jordi Ribas-Arino. Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes. Magnetochemistry, 2016, 2 (1), pp.6. ⟨10.3390/magnetochemistry2010006⟩. ⟨hal-03522129⟩

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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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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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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

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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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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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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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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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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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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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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 and Astrophysics - A&A, 2015, 582, pp.A36. ⟨10.1051/0004-6361/201526977⟩. ⟨hal-01459047⟩

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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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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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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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Matthieu Teci, Eric Brenner, Dominique Matt, Christophe Gourlaouen, Loic Toupet. “Hummingbird” Behaviour of N-Heterocyclic Carbenes Stabilises Out-of-Plane Bonding of AuCl and CuCl Units. Chemistry - A European Journal, 2015, 21 (31), pp.10997--11000. ⟨10.1002/chem.201500840⟩. ⟨hal-01225625⟩

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Matthieu Teci, Eric Brenner, Dominique Matt, Christophe Gourlaouen, Loic Toupet. N-Alkylfluorenyl-substituted N-heterocyclic carbenes as bimodal pincers. Dalton Transactions, 2015, 44 (19), pp.9260--9268. ⟨10.1039/C5DT00980D⟩. ⟨hal-01168332⟩

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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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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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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

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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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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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Aude Marjolin, Christophe Gourlaouen, Carine Clavaguéra, Pengyu Y. Ren, Jean-Philip Piquemal, et al.. Hydration gibbs free energies of open and closed shell trivalent lanthanide and actinide cations from polarizable molecular dynamics. Journal of Molecular Modeling, 2014, 20, pp.2471. ⟨10.1007/s00894-014-2471-6⟩. ⟨hal-01157657⟩

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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 and Astrophysics - A&A, 2014, 572, pp.A104. ⟨10.1051/0004-6361/201424384⟩. ⟨hal-01137773⟩

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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

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Laurène Beauvalet, Vincent Robert, Valery Lainey, Jean-Eudes Arlot, François Colas. ODIN: a new model and ephemeris for the Pluto system. Astronomy and Astrophysics - A&A, 2013, 553 (id.A14), 22 p. ⟨10.1051/0004-6361/201220654⟩. ⟨hal-00817789⟩

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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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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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Christophe Gourlaouen, Carine Clavaguéra, Aude Marjolin, Jean-Philip Piquemal, Jean-Pierre Dognon. Understanding the structure and electronic properties of Th4+-water complexes. Canadian Journal of Chemistry, 2013, 91 (9), pp.821-831. ⟨10.1139/cjc-2012-0546⟩. ⟨hal-00926680⟩

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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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A. Marjolin, C. Gourlaouen, Carine Clavaguéra, J. -P. Dognon, J. -P. Piquemal. Towards energy decomposition analysis for open and closed shell f-elements mono aqua complexes. Chemical Physics Letters, 2013, 563, pp.25-29. ⟨10.1016/j.cplett.2013.01.066⟩. ⟨hal-00880177⟩

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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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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. Journal of Chemical Physics, 2013, 139, pp.134113. ⟨hal-00967719⟩

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2012

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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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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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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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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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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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A. Marjolin, C. Gourlaouen, Carine Clavaguéra, P.Y. Ren, J.C. Wu, et al.. Toward accurate solvation dynamics of lanthanides and actinides in water using polarizable force fields: From gas-phase energetics to hydration free energies. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2012, 131 (March), pp.1198. ⟨10.1007/s00214-012-1198-7⟩. ⟨hal-00904389⟩

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2011

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I. Borget, J. Cadranel, J.-P. Pignon, E. Quoix, B. Coudert, et al.. Cost-effectiveness of three strategies for second-line erlotinib initiation in nonsmall-cell lung cancer: the ERMETIC study part 3. European Respiratory Journal, 2011, 39 (1), pp.172-179. ⟨10.1183/09031936.00201210⟩. ⟨hal-03172552⟩

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Damien Colombet, Dominique Legendre, Arnaud Cockx, Pascal Guiraud, Frederic Risso, et al.. Experimental study of mass transfer in a dense bubble swarm. Chemical Engineering Science, 2011, 66 (14), pp.3432-3440. ⟨10.1016/j.ces.2011.01.020⟩. ⟨hal-02115985⟩

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Y. Pellegrin, M. Sandroni, E. 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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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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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

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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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C. Gourlaouen, O. Parisel, J.-P. Piquemal. Importance of backdonation in [M–(CO)]p+ complexes isoelectronic to [Au–(CO)]+. Journal of Chemical Physics, 2010, 133 (12), pp.124310. ⟨10.1063/1.3491266⟩. ⟨hal-02126876⟩

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2009

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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.. Journal of Chemical Physics, 2009, 131, pp.054107. ⟨10.1063/1.3187032⟩. ⟨hal-01373289⟩

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C. Gourlaouen, O. Parisel, J.-P. Piquemal. Trends in ns2np0 [M(CO)]q+ complexes: From germanium to element 114 (Uuq). Chemical Physics Letters, 2009, 469 (1-3), pp.38-42. ⟨10.1016/j.cplett.2008.12.040⟩. ⟨hal-02126822⟩

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2008

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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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Christophe Gourlaouen, Hélène Gérard, Jean-Philip Piquemal, Olivier Parisel. Understanding Lead Chemistry from Topological Insights: The Transition between Holo- and Hemidirected Structures within the [Pb(CO)n]2+ Model Series. Chemistry - A European Journal, 2008, 14 (9), pp.2730-2743. ⟨10.1002/chem.200701265⟩. ⟨hal-02126879⟩

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I. Ozdemir, S. Demir, B. Cetinkaya, C. Gourlaouen, F. Maseras, et al.. Direct Arylation of Arene C-H Bonds by Cooperative Action of NHCarbene-Ruthenium(II) Catalyst and Carbonate via Proton Abstraction Mechanism. Journal of the American Chemical Society, 2008, 130, pp.1156-1157. ⟨hal-00341710⟩

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J.-P. Piquemal, J. Pilmé, O. Parisel, H. Gerard, I. Fourré, et al.. What can be learnt on biologically relevant systems from the topological analysis of the electron localization function?. International Journal of Quantum Chemistry, 2008, 108 (11), pp.1951-1969. ⟨10.1002/qua.21711⟩. ⟨hal-02126817⟩

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2007

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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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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

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Christophe Gourlaouen, Jean-Philip Piquemal, Olivier Parisel. [Pb(H2O)]2+ and [Pb(OH)]+: Four-component density functional theory calculations, correlated scalar relativistic constrained-space orbital variation energy decompositions, and topological analysis. Journal of Chemical Physics, 2006, 124 (17), pp.174311. ⟨10.1063/1.2186994⟩. ⟨hal-02127222⟩

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Christophe Gourlaouen, Jean-Philip Piquemal, Trond Saue, Olivier Parisel. Revisiting the geometry of nd10 (n+1)s0 [M(H2O)]p+ complexes using four-component relativistic DFT calculations and scalar relativistic correlated CSOV energy decompositions (Mp+ = Cu+, Zn2+, Ag+, Cd2+, Au+, Hg2+). Journal of Computational Chemistry, 2006, 27 (2), pp.142-156. ⟨10.1002/jcc.20329⟩. ⟨hal-02127159⟩

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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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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

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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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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

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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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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

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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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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

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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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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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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. 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. 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. 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. 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: the case of La Soufrière of Guadeloupe (FWI) unrest. 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, 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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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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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, 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. 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. 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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2018

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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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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2015

ref_biblio

Chantal Daniel. Absorption Spectroscopy, Emissive Properties, and Ultrafast Intersystem Crossing Processes in Transition Metal Complexes: TD-DFT and Spin-Orbit Coupling. Density Functional Methods for Excited States, pp.377-413, 2015, ⟨10.1007/128_2015_635⟩. ⟨hal-02571386⟩

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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.: Effects from internal and external forcing: example from La Soufriere de Guadeloupe (FWI).. 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, 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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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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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

Patrick Gaboriau, Alain Bertho, Patrick Gaboriau, 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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