Anne MILET

Publications

Article dans une revue (81)

Methyllithium “On‐Water” Addition on Ketone: H‐Bond Network and Mechanism Samuel Mador,Anne Milet Journal of Computational Chemistry, 2025, 46 (22), ⟨10.1002/jcc.70200⟩ Article dans une revue hal-05241085v1
Probing oxidation-controlled proton transfer at the graphene oxide-water interface with deep neural network force fields Golam Azom,Toheeb Balogun,Anne Milet,Rolf David,Revati Kumar Chemical Communications, 2025, 61 (78), pp.15223-15226. ⟨10.1039/D5CC03431K⟩ Article dans une revue hal-05241077v1
Selective Electrochemical CO&lt;sub&gt;2&lt;/sub&gt; Reduction to Formate: Mechanistic Insights into [FeFe]-Hydrogenase Models with Tunable Bridging Ligands Guilherme L Tripodi,Lucile Chatelain,Sandeep Kumar,Anne Milet,Carole Dubocet al. ACS Catalysis, 2025, 15, pp.21009-21018. ⟨10.1021/acscatal.5c04268⟩ Article dans une revue hal-05421337v1
Tuning the Electronic and Molecular Structures of Bioinspired Heterodinuclear NiFe Catalyst for Enhanced Catalytic H 2 Evolution Noémie Lalaoui,Irene Suarez-Antuna,Subash Arjunan,Mathieu Curtil,Polydoros-Chrysovalantis Ioannouet al. ACS Organic & Inorganic Au, 2025, 5 (4), pp.230-237. ⟨10.1021/acsorginorgau.5c00019⟩ Article dans une revue hal-05346297v1
From Graphene Oxide to Graphene: Changes in Interfacial Water Structure and Reactivity Using Deep Neural Network Force Fields Golam Azom,Anne Milet,Rolf David,Revati Kumar Journal of Physical Chemistry C, 2024, ⟨10.1021/acs.jpcc.4c03444⟩ Article dans une revue hal-04708471v1
Investigating the interplay between charge transfer and CO 2 insertion in the adsorption of a NiFe catalyst for CO 2 electroreduction on a graphite support through DFT computational approaches Subash Arjunan,Joshua Sims,Carole Duboc,Pascale Maldivi,Anne Milet Journal of Computational Chemistry, 2024, 45 (19), pp.1690-1696. ⟨10.1002/jcc.27355⟩ Article dans une revue hal-04530347v1
UNDERSTANDING GOLD‐ALKYNE ACTIVATION FROM BOND DISSOCIATION ENERGIES OF GOLD‐ALKYNE COMPLEXES David Gatineau,Denis Lesage,Rodolphe Gueret,Samuel Danladi Mador,Anne Miletet al. European Journal of Organic Chemistry, 2024, ⟨10.1002/ejoc.202400340⟩ Article dans une revue hal-04648615v1
Did Homocysteine Take Part in the Start of the Synthesis of Peptides on the Early Earth? Sparta Youssef-Saliba,Anne Milet,Yannick Vallée Biomolecules, 2022, 12 (4), pp.555. ⟨10.3390/biom12040555⟩ Article dans une revue hal-04910569v1
A bio-inspired heterodinuclear hydrogenase CoFe complex Lili Sun,Suzanne M. Adam,Walaa Mokdad,Rolf David,Anne Miletet al. Faraday Discussions, 2022, 234, pp.34-41. ⟨10.1039/d1fd00085c⟩ Article dans une revue hal-03597855v1
Crossing of the Cystic Barriers of Toxoplasma gondii by the Fluorescent Coumarin Tetra-Cyclopeptide Céline Dard,Baptiste Leforestier,Flaviane Francisco Hilário,Mohamed Dit Mady Traoré,Marie-Ange Lespinasseet al. Molecules, 2021, 26 (24), pp.7506. ⟨10.3390/molecules26247506⟩ Article dans une revue hal-03692230v1
DFT and TDDFT Study of 4-((Furan-2-Ylmethyl)Sulfonyl)-Substituted ZINC(II) Phthalocyanine: Importance of Grimme Dispersion with A Becke–Johnson Damping Correction and the Substituent Effect M. Khazri,K. Sahra,Anne Milet,B. Jamoussi,S. Messaoudi Journal of Structural Chemistry, 2020, 61 (6), pp.844-851. ⟨10.1134/S0022476620060025⟩ Article dans une revue hal-04975982v1
A way to thioacetate esters compatible with non-oxidative prebiotic conditions Naoual Leqraa,Yvain Nicolet,Anne Milet,Yannick Vallée Scientific Reports, 2020, 10 (1), pp.14488. ⟨10.1038/s41598-020-71524-7⟩ Article dans une revue hal-02934448v1
First Direct Evidence of an ortho -Lithiated Aryloxetane: Solid and Solution Structure, and Dynamics Filippo Perna,Aurelia Falcicchio,Antonio Salomone,Rosanna Rizzi,Ghanem Hamdounet al. European Journal of Organic Chemistry, 2019, 2019 (31-32), pp.5549-5556. ⟨10.1002/ejoc.201900949⟩ Article dans une revue hal-02294014v1
Interfacial Water at Graphene Oxide Surface: Ordered or Disordered? Visal Subasinghege Don,Rolf David,Pu Du,Anne Milet,Revati Kumar Journal of Physical Chemistry B, 2019, 123 (7), pp.1636-1649. ⟨10.1021/acs.jpcb.8b10987⟩ Article dans une revue hal-04975960v1
Mechanistic Perspectives in the Regioselective Indole Addition to Unsymmetrical Silyloxyallyl Cations Caitlin G Bresnahan,Kiara A Taylor-Edinbyrd,Alexander H Cleveland,Joshua A Malone,Nitin S Dangeet al. Journal of Organic Chemistry, 2019, 84 (11), ⟨10.1021/acs.joc.9b00853⟩ Article dans une revue hal-04828172v1
Ion Pairing in HCl–Water Clusters: From Electronic Structure Investigations to Multiconfigurational Force-Field Development Caitlin Bresnahan,Rolf David,Anne Milet,Revati Kumar Journal of Physical Chemistry A, 2019, 123 (43), pp.9371-9381. ⟨10.1021/acs.jpca.9b07775⟩ Article dans une revue hal-04975890v1
The Reaction of Aminonitriles with Aminothiols: A Way to Thiol-Containing Peptides and Nitrogen Heterocycles in the Primitive Earth Ocean Ibrahim Shalayel,Seydou Coulibaly,Kieu Ly,Anne Milet,Yannick Vallée Artificial Life, 2018, 8 (4), ⟨10.3390/life8040047⟩ Article dans une revue hal-01929877v1
Bond Dissociation Energies of Carbonyl Gold Complexes: a New Descriptor of Ligand Effects in Gold(I) Complexes? David Gatineau,Denis Lesage,Hervé Clavier,Heloise Dossmann,Chen-Hui Chanet al. Dalton Transactions, 2018, 47 (43), pp.15497-15505. ⟨10.1039/C8DT03721C⟩ Article dans une revue hal-01889096v1
Experimental Bond Dissociation Energies of Benzylpyridinium Thermometer Ions determined by Threshold-CID and RRKM modeling David Gatineau,Antony Memboeuf,Anne Milet,Richard B Cole,Héloïse Dossmannet al. International Journal of Mass Spectrometry, 2017, 417, pp.69-75. ⟨10.1016/j.ijms.2017.03.002⟩ Article dans une revue hal-03146746v1
Iron Hydroperoxide Intermediate in Superoxide Reductase: Protonation or Dissociation First? MM Dynamics and QM/MM Metadynamics Study. Rolf David,Hélène Jamet,Vincent Nivière,Yohann Moreau,Anne Milet Journal of Chemical Theory and Computation, 2017, 13 (6), pp.2987-3004. ⟨10.1021/acs.jctc.7b00126⟩ Article dans une revue hal-01540501v1
At the very beginning of life on Earth: the thiol-rich peptide (TRP) world hypothesis Ibrahim Shalayel,Yannick Vallée,Kieu-Dung Ly,K. Rao,Gaël de Paëpeet al. International Journal of Developmental Biology, 2017, 61 (8-9), pp.471 - 478. ⟨10.1387/ijdb.170028yv⟩ Article dans une revue hal-01688807v1
Experimental and Computational Insights into Carbon Dioxide Fixation by RZnOH Species Kamil Sokołowski,Wojciech Bury,Adam Tulewicz,Anna M. Cieślak,Iwona Justyniaket al. Chemistry - A European Journal, 2015, 21 (14), pp.5496 - 5503. ⟨10.1002/chem.201406271⟩ Article dans une revue istex hal-01651027v1
Hydrogen-Bond Controlled π-Dimerization in Viologen-Appended Calixarenes: Revealing a Subtle Balance of Weak Interactions Christophe Kahlfuss,Anne Milet,Jennifer Wytko,Jean Weiss,Eric Saint-Amanet al. Organic Letters, 2015, 17 (16), pp.4058-4061. ⟨10.1021/acs.orglett.5b01982⟩ Article dans une revue hal-01234128v1
Was methionine the molecular trigger of life on early earth? Yannick Vallée,Anne Milet,K. V. Raghavendra Rao Phosphorus, Sulfur, and Silicon and the Related Elements, 2015, 191 (2), pp.329 - 332. ⟨10.1080/10426507.2015.1034314⟩ Article dans une revue hal-01651428v1
Kinetic Resolution in the [2+2] Cycloaddition of Ketenes: An Experimental and Theoretical Study Pauline Rullière,Sébastien Carret,Anne Milet,Jean-François Poisson Chemistry - A European Journal, 2015, 21 (10), pp.3876 - 3881. ⟨10.1002/chem.201405393⟩ Article dans une revue istex hal-01651091v1
Theoretical Study, Synthesis, and Reactivity of Five-Membered-Ring Acyl Sulfonium Cations K. Rao,Nicolas Caiveau,Rolf David,Ibrahim Shalayel,Anne Miletet al. European Journal of Organic Chemistry, 2015, 2015 (28), pp.6125 - 6129. ⟨10.1002/ejoc.201500749⟩ Article dans une revue istex hal-01651424v1
Conformational Flexibility of Human Casein Kinase Catalytic Subunit Explored by Metadynamics Aurélie Gouron,Anne Milet,Hélène Jamet Biophysical Journal, 2014, 106 (5), pp.1134 - 1141. ⟨10.1016/j.bpj.2014.01.031⟩ Article dans une revue hal-01652174v1
The Pauson-Khand Mechanism Revisited: Origin of CO in the Final Product Denis Lesage,Anne Milet,Antony Memboeuf,Jérôme Blu,Andrew E. Greeneet al. Angewandte Chemie International Edition, 2014, 53 (7), pp.1939 - 1942. ⟨10.1002/anie.201307745⟩ Article dans une revue istex hal-01529572v1
Investigation of Binding-Site Homology between Mushroom and Bacterial Tyrosinases by Using Aurones as Effectors Romain Haudecoeur,Aurélie Gouron,Carole Dubois,Hélène Jamet,Mark Lightbodyet al. ChemBioChem, 2014, 15 (9), pp.1325 - 1333. ⟨10.1002/cbic.201402003⟩ Article dans une revue istex hal-01652214v1
α-Halogenoacetanilides as hydrogen-bonding organocatalysts that activate carbonyl bonds: fluorine versus chlorine and bromine Sylvain Koeller,Coralie Thomas,Frédéric Peruch,Alain Deffieux,Stéphane Massipet al. Chemistry - A European Journal, 2014, 20 (10), pp.2849-2859. ⟨10.1002/chem.201303662⟩ Article dans une revue istex hal-01368968v1
Probing kojic acid binding to tyrosinase enzyme: insights from a model complex and QM/MM calculations Constance Bochot,Aurélie Gouron,Luigi Bubacco,Anne Milet,Christian Philouzeet al. Chemical Communications, 2014, 50 (3), pp.308 - 310. ⟨10.1039/C3CC47469K⟩ Article dans une revue hal-01652349v1
Reversible dimerization of viologen radicals covalently linked to a calixarene platform: Experimental and theoretical aspects Christophe Kahlfuss,Estelle Metay,Marie-Christine Duclos,Marc Lemaire,Mircea Olteanet al. Comptes Rendus. Chimie, 2014, 17 (6), pp.505 - 511. ⟨10.1016/j.crci.2014.01.006⟩ Article dans une revue istex hal-01652401v1
Long-range electronic connection in picket-fence like ferrocene–porphyrin derivatives Charles H. Devillers,Anne Milet,Jean-Claude Moutet,Jacques Pécaut,Guy Royalet al. Dalton Transactions, 2013, 42 (4), pp.1196 - 1209. ⟨10.1039/C2DT31667F⟩ Article dans une revue hal-01652830v1
Redox control of molecular motions in bipyridinium appended calixarenes. Adriana Iordache,Ramu Kannappan,Estelle Métay,Marie-Christine Duclos,S Pellet-Rostainget al. Organic & Biomolecular Chemistry, 2013, 11 (26), pp.4383-9. ⟨10.1039/c3ob40356d⟩ Article dans une revue hal-00919286v1
CFD modeling of the high-temperature HVPE growth of aluminum nitride layers on c-plane sapphire: from theoretical chemistry to process evaluation R. Boichot,N. Coudurier,Florian Mercier,A. Claudel,N. Baccaret al. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2013, 133 (1), ⟨10.1007/s00214-013-1419-8⟩ Article dans une revue hal-00935012v1
Redox Control of Rotary Motions in Ferrocene-Based Elemental Ball Bearings Adriana Iordache,Mircea Oltean,Anne Milet,Fabrice Thomas,Benoit Baptisteet al. Journal of the American Chemical Society, 2012, 134 (5), pp.2653 - 2671. ⟨10.1021/ja209766e⟩ Article dans une revue hal-01654970v1
Phenols and Tertiary Amines: An Amazingly Simple Hydrogen-Bonding Organocatalytic System Promoting Ring Opening Polymerization Coralie Thomas,Frédéric Peruch,Alain Deffieux,Anne Milet,Jean-Pierre Desvergneet al. Advanced Synthesis and Catalysis, 2011, 353 (7), pp.1049-1054. ⟨10.1002/adsc.201100013⟩ Article dans une revue istex hal-00947127v1
MESP: An efficient method to validate an ONIOM partition for the modelization of phosphine ligands commonly used in the Pauson–Khand reaction M. Retegan,H. Jamet,P. Maji,Y. Gimbert,M. Olteanet al. Computational and Theoretical Chemistry, 2011, 965 (1), pp.231 - 235. ⟨10.1016/j.comptc.2011.02.002⟩ Article dans une revue istex hal-01655275v1
Viologen-based redox-switchable anion-binding receptors Ramu Kannappan,Christophe Bucher,Eric Saint-Aman,Jean-Claude Moutet,Anne Miletet al. New Journal of Chemistry, 2010, 34 (7), pp.1373-1386. ⟨10.1039/B9NJ00757A⟩ Article dans une revue istex hal-01662779v1
Epitaxial and polycrystalline growth of AlN by high temperature CVD: Experimental results and simulation R. Boichot,A. Claudel,N. Baccar,A. Milet,E. Blanquetet al. Surface and Coatings Technology, 2010, 205 (5), pp.1294 - 1301. ⟨10.1016/j.surfcoat.2010.08.049⟩ Article dans une revue istex hal-01658032v1
Comparative Theoretical Studies of the Phosphomonoester Hydrolysis Mechanism by Purple Acid Phosphatases M. Retegan,A. Milet Journal of Physical Chemistry A, 2010, 114 (26), pp.7110 - 7116. ⟨10.1021/jp100478f⟩ Article dans une revue hal-01657990v1
Exploring the Binding of Inhibitors Derived from Tetrabromobenzimidazole to the CK2 Protein Using a QM/MM-PB/SA Approach Marius Retegan,Anne Milet,Hélène Jamet Journal of Chemical Information and Modeling, 2009, 49 (4), pp.963 - 971. ⟨10.1021/ci8004435⟩ Article dans une revue hal-01658972v1
Tracing the Entropy along a Reactive Pathway: The Energy As a Generalized Reaction Coordinate Carine Michel,Alessandro Laio,Anne Milet Journal of Chemical Theory and Computation, 2009, 5 (9), pp.2193 - 2196. ⟨10.1021/ct900177h⟩ Article dans une revue hal-01659060v1
Mechanistic investigations of the phosphine-mediated nitrone deoxygenation reaction and its application in cyclic imine synthesis Pascale Cividino,Marie-Louise Dheu-Andries,Jun Ou,Anne Milet,Sandrine Pyet al. Tetrahedron Letters, 2009, 50 (50), pp.7038 - 7042. ⟨10.1016/j.tetlet.2009.09.175⟩ Article dans une revue istex hal-01658997v1
Gas-Phase Study of Phenylacetylene and Norbornadiene on a Palladium(II) Phosphinous Acid Complex: Importance of the Order of Introduction of the Organic Partners Reddy Thota,Denis Lesage,Yves Gimbert,Laurent Giordano,Stéphane Humbelet al. Organometallics, 2009, 28 (9), pp.2735 - 2743. ⟨10.1021/om801197n⟩ Article dans une revue hal-01658984v1
Ynol Ethers from Dichloroenol Ethers: Mechanistic Elucidation Through 35 Cl Labeling Benjamin Darses,Anne Milet,Christian Philouze,Andrew Greene,Jean-François Poisson Organic Letters, 2008, 10 (20), pp.4445-4447. ⟨10.1021/ol801704u⟩ Article dans une revue hal-02477037v1
Synthesis of N-acridinyl-N′-alkylguanidines: Dramatic influence of amine to guanidine replacement on the physicochemical properties Walid Zeghida,Julien Debray,Carine Michel,Anne Milet,Pascal Dumyet al. Bioorganic and Medicinal Chemistry Letters, 2008, 18 (17), pp.4779 - 4782. ⟨10.1016/j.bmcl.2008.07.100⟩ Article dans une revue istex hal-01900192v1
A DFT study of 1,3-dipolar cycloaddition reactions of 5-membered cyclic nitrones with α,β-unsaturated lactones and with cyclic vinyl ethers. Part I Sebastian Stecko,Konrad Pasniczek,Carine Michel,Anne Milet,Serge Perezet al. Tetrahedron: Asymmetry, 2008, 19 (14), pp.1660-1669. ⟨10.1016/j.tetasy.2008.07.008⟩ Article dans une revue istex hal-00352500v1
A DFT study of 1,3-dipolar cycloaddition of cyclic nitrones to unsaturated lactones. Part II Sebastian Stecko,Konrad Pasniczek,Carine Michel,Anne Milet,Serge Perezet al. Tetrahedron: Asymmetry, 2008, 19 (18), pp.2140-2148. ⟨10.1016/j.tetasy.2008.09.003⟩ Article dans une revue istex hal-00352480v1
Free energy calculation of the effects of the fluorinated phosphorus ligands on the C–H and C–C reductive elimination from Pt(IV) Carine Michel,Anne Milet Journal of Molecular Structure: THEOCHEM, 2008, 852 (1-3), pp.54 - 61. ⟨10.1016/j.theochem.2007.12.012⟩ Article dans une revue istex hal-01900191v1
Free Energy ab Initio Metadynamics: A New Tool for the Theoretical Study of Organometallic Reactivity? Example of the C−C and C−H Reductive Eliminations from Platinum(IV) Complexes Carine Michel,Alessandro Laio,Fawzi Mohamed,Matthias Krack,Michele Parrinelloet al. Organometallics, 2007, 26 (5), pp.1241 - 1249. ⟨10.1021/om060980h⟩ Article dans une revue istex hal-01900190v1
Water surface is acidic. Victoria Buch,Anne Milet,Robert Vacha,Pavel. Jungwirth,J. Devlin Proceedings of the National Academy of Sciences of the United States of America, 2007, 104, pp.7342-7347 Article dans une revue hal-00171124v1
Theoretical study of the cyclization of carbonyl groups on unactivated alkynyl-quinolines in the gas phase and in methanol solution Carine Michel,T. Godet,M.-L. Dheu-Andries,P. Belmont,A. Milet Journal of Molecular Structure: THEOCHEM, 2007, 811, pp.175-182 Article dans une revue hal-00159603v1
Autoionization at the surface of neat water : is the top layer pH neutral , basic , or acidic? Robert Vacha,Victoria Buch,Anne Milet,J. Devlin,Pavel. Jungwirth Physical Chemistry Chemical Physics, 2007, 9, pp.4736-4747 Article dans une revue hal-00172455v1
Theoretical study of the cyclization of carbonyl groups on unactivated alkynyl-quinolines in the gas phase and in methanol solution Carine Michel,Thomas Godet,Marie-Louise Dheu Andries,Philippe Belmont,Anne Milet Journal of Molecular Structure: THEOCHEM, 2007, 811, pp.175-182. ⟨10.1016/j.theochem.2007.03.009⟩ Article dans une revue istex hal-00172453v1
Silver versus Gold Catalysis in Tandem Reactions of Carbonyl Functions onto Alkynes: A Versatile Access to Furoquinoline and Pyranoquinoline Cores Thomas Godet,Carine Vaxelaire,Carine Michel,Anne Milet,Philippe Belmont Chemistry - A European Journal, 2007, 13 (19), pp.5632-5641. ⟨10.1002/chem.200700202⟩ Article dans une revue istex hal-01121405v1
Free Energy ab Initio Metadynamics: A New Tool for the Theoretical Study of Organometallic Reactivity? Example of the C-C and C-H Reductive Eliminations from Platinum(IV) Complexes Carine Michel,Alessandro Laio,Mohamed Fawzi,Matthias Krack,Michele Parrinelloet al. Organometallics, 2007, 26, pp.1241-1249 Article dans une revue hal-00172456v1
Structural, Kinetic and Theoretical Studies on modeling Zn-containing phosphodiesterase Active Center: medium-dependent Reaction Mechanisms Katalin Selmeczi,Carine Michel,Anne Milet,Isabelle Gautier-Luneau,Christian Philouzeet al. Chemistry - A European Journal, 2007, 13 (32), pp.9093-9106. ⟨10.1002/chem.200700104⟩ Article dans une revue istex hal-00942240v1
First C–C bond formation in the Pauson–Khand reaction: Influence of carbon–carbon triple bond polarization on regiochemistry Theodorus J.M. de Bruin,Carine Michel,Karoly Vekey,Andrew E. Greene,Yves Gimbertet al. Journal of Organometallic Chemistry, 2006, 691 (20), pp.4281-4288. ⟨10.1016/j.jorganchem.2006.07.002⟩ Article dans une revue istex hal-01112584v1
Pyrenyldiazomethane, a versatile reagent for nucleotides phosphate alkylation. M . Kotera,M.L. Dheu,A. Milet,J. Lhomme,A. Laayoun Bioorganic and Medicinal Chemistry Letters, 2005, 15, pp.705-708 Article dans une revue hal-00129901v1
Reactivity of Pyrido[4 , 3 , 2-kl]acridines : Regioselective Formation of 6-Substituted Derivatives. Laurent Bouffier,Martine Demeunynck,Anne Milet,Pascal Dumy Journal of Organic Chemistry, 2004, 69, pp.8144-8147 Article dans une revue hal-00071546v1
On Early Events in the Pauson−Khand Reaction Yves Gimbert,Denis Lesage,Anne Milet,Françoise Fournier,Andrew Greeneet al. Organic Letters, 2003, 5 (22), pp.4073-4075. ⟨10.1021/ol035503z⟩ Article dans une revue hal-04910644v1
Theoretical study of the hydrogen chloride trihydrate Cezary Struniewicz,Anne Milet,Joanna Sadlej,Robert Moszynski International Journal of Quantum Chemistry, 2002, 90 (3), pp.1151-1162. ⟨10.1002/qua.10324⟩ Article dans une revue istex hal-04910647v1
Role of Cancellation of Errors in Ab Initio Calculations: Structure and Energetics of the OH - (H 2 O) System and Electric Dipole Properties of the Subsystems Gaétan Weck,Anne Milet,Robert Moszynski,Elise Kochanski Journal of Physical Chemistry A, 2002, 106 (50), pp.12084-12094. ⟨10.1021/jp0265541⟩ Article dans une revue istex hal-04910640v1
Some problems with the accuracy in ab initio calculations of the static dipole polarizability components: example of the OH− ion Gaétan Weck,Anne Milet,Robert Moszynski,Elise Kochanski Journal of Molecular Structure: THEOCHEM, 2002, 591 (1-3), pp.141-150. ⟨10.1016/s0166-1280(02)00217-8⟩ Article dans une revue istex hal-04910649v1
The OH − (H 2 O) 2 system: efficiency of ab initio and DFT calculations for two- and three-body interactions Naima Turki,Anne Milet,Ourida Ouamerali,Robert Moszynski,Elise Kochanski Journal of Molecular Structure: THEOCHEM, 2002, 577 (2-3), pp.239-253. ⟨10.1016/s0166-1280(01)00671-6⟩ Article dans une revue istex hal-04910652v1
Theoretical study of the protolytic dissociation of HCl in water clusters Anne Milet,Cezary Struniewicz,Robert Moszynski,Paul Wormer The Journal of Chemical Physics, 2001, 115 (1), pp.349-356. ⟨10.1063/1.1377875⟩ Article dans une revue hal-04910660v1
Structure and properties of the weakly bound trimer (H2O)2HCl. Theoretical predictions and comparison with high-resolution rotational spectroscopy Anne Milet,C. Struniewicz,R. Moszynski,J. Sadlej,Z. Kisielet al. Chemical Physics, 2001, 271 (3), pp.267-282. ⟨10.1016/S0301-0104(01)00449-9⟩ Article dans une revue istex hal-04910658v1
Highly Regioselective Vilsmeier−Haack Acylation of Hexahydropyrroloindolizine Babak Sayah,Nadia Pelloux-Léon,Anne Milet,Joséphine Pardillos-Guindet,Yannick Vallée Journal of Organic Chemistry, 2001, 66 (7), pp.2522-2525. ⟨10.1021/jo001769x⟩ Article dans une revue istex hal-04910655v1
Theoretical Study of the Regiochemistry-Determining Step of the Pauson−Khand Reaction Theodorus de Bruin,Anne Milet,Frédéric Robert,Yves Gimbert,Andrew Greene Journal of the American Chemical Society, 2001, 123 (29), pp.7184-7185. ⟨10.1021/ja015781y⟩ Article dans une revue istex hal-04910662v1
Theoretical predictions of vibration–rotation–tunneling dynamics of the weakly bound trimer (H2O)2HCl Cezary Struniewicz,Tatiana Korona,Robert Moszynski,Anne Milet Chemical Physics Letters, 2001, 343 (5-6), pp.588-596. ⟨10.1016/S0009-2614(01)00754-0⟩ Article dans une revue istex hal-04910659v1
Regiochemistry in the Pauson−Khand Reaction: Has a Trans Effect Been Overlooked? Frédéric Robert,Anne Milet,Yves Gimbert,Denés Konya,Andrew Greene Journal of the American Chemical Society, 2001, 123 (23), pp.5396-5400. ⟨10.1021/ja004170n⟩ Article dans une revue istex hal-04910663v1
Hydrogen Bonding in Water Clusters: Pair and Many-Body Interactions from Symmetry-Adapted Perturbation Theory Anne Milet,Robert Moszynski,Paul Wormer,Ad van der Avoird Journal of Physical Chemistry A, 1999, 103 (34), pp.6811-6819. ⟨10.1021/jp990773d⟩ Article dans une revue istex hal-05003956v1
Theoretical Study of the Addition of Hydrogen Cyanide to Methanimine in the Gas Phase and in Aqueous Solution Roger Arnaud,Carlo Adamo,Maurizio Cossi,Anne Milet,Yannick Valléeet al. Journal of the American Chemical Society, 1999, 122 (2), pp.324-330. ⟨10.1021/ja9911059⟩ Article dans une revue istex hal-04910665v1
Coordination geometries for palladium and platinum: theoretical studies and the synthesis and structure of tris(indazol-1-yl)borate complexes MMe3{(ind)3BH} Allan Canty,Alain Dedieu,Hong Jin,Anne Milet,Brian Skeltonet al. Inorganica Chimica Acta, 1999, 287 (1), pp.27-36. ⟨10.1016/S0020-1693(98)00402-2⟩ Article dans une revue hal-05003953v1
Theoretical study of the OH−(H2O)2 system: Nature and importance of three-body interactions Naima Turki,Anne Milet,Ali Rahmouni,Ourida Ouamerali,Robert Moszynskiet al. The Journal of Chemical Physics, 1998, 109 (17), pp.7157-7168. ⟨10.1063/1.477353⟩ Article dans une revue hal-04910670v1
Reduction of Water to H 2 by Diorganopalladium(II) Complexes of Tris(pyrazol-1-yl)borate: Ab-Initio Theoretical Study of the Mechanism Anne Milet,Alain Dedieu,Allan Canty Organometallics, 1997, 16 (24), pp.5331-5341. ⟨10.1021/om9702338⟩ Article dans une revue istex hal-05003954v1
σ-Bond Metathesis Reactions Involving Palladium(II) Hydride and Methyl Complexes: A Theoretical Assessment Anne Milet,Alain Dedieu,Gerard Kapteijn,G. van Koten Inorganic Chemistry, 1997, 36 (15), pp.3223-3231. ⟨10.1021/ic960807l⟩ Article dans une revue hal-05003955v1
Nitriles and Hydrogen on a Nickel Catalyst: Theoretical Evidence of a Process Competing with the Total Hydrogenation Reaction Bernard Bigot,Françoise Delbecq,Anne Milet,Vincent-Henri Peuch Journal of Catalysis, 1996, 159 (2), pp.383-393. ⟨10.1006/jcat.1996.0101⟩ Article dans une revue istex hal-04910671v1
Nitriles and hydrogen on a nickel catalyst: theoretical evidence of a process competing with the total hydrogenation reaction B. Bigot,F. Delbecq,A. Milet,V.H. Peuch Journal of Catalysis, 1996, 159, pp.383-393 Article dans une revue hal-00006407v1
Theoretical study of the protonation of square-planar palladium(II) complexes. Assessment of basis set and correlation effects Anne Milet,A. Dedieu Theoretica Chimica Acta, 1995, 92 (6), pp.361-367. ⟨10.1007/BF01114850⟩ Article dans une revue istex hal-04910636v1

Poster de conférence (3)

Theoretical study of the CO2 reduction mechanism catalyzed by a NiFe complex on graphite Pascale Maldivi,Anne Milet,Subash Arjunan 18th International Congress on Catalysis Lyon France, Jul 2024, Lyon, France Poster de conférence hal-04954195v1
1,4-diacids in the reductive Krebs (rTCA) cycle Abdelkarim El Qami,Jorge Hilari,Véronique Blandin,Anne Milet,Yannick Vallée Molecular Origins of Life, Jun 2023, Munich (Allemagne) (online), Germany Poster de conférence hal-04931935v1
Cell permeability of cyclopseudopeptide: photoactivation and penetration mechanism Yung-Sing Wong,Basile Pérès,Leandro J. dos Santos,Virginie Faure,Mylène Pezetet al. JCO SCF, Nov 2022, Palaiseau, France Poster de conférence hal-04779005v1

Communication dans un congrès (2)

Small-cell-permeable cyclopeptides to target apicomplexan parasites Yung-Sing Wong,Leandro J. dos Santos,Basile Pérès,Mylène Pezet,Virginie Faureet al. 1er Journée du Réseau MuFoPAM, MuFoPAM, Oct 2024, Paris, France Communication dans un congrès hal-04776740v1
Theoretical Mechanistical Study of CO2 Reduction to CH4 by a Bio-Inspired NiFe Hydrogenase Model on graphite. Anne Milet,Pascale Maldivi,Subash Arjunan,Joshua M. Sims 16th European Biological Inorganic Chemistry Conference, Jul 2022, Grenoble, France Communication dans un congrès hal-04440667v1

Image (1)

Bond dissociation energies of carbonyl gold complexes: a new descriptor of ligand effects in gold( i ) complexes? David Gatineau,Denis Lesage,Hervé Clavier,Héloïse Dossmann,Chen Chanet al. Photography. France. 2018 Image (photographie) hal-02530957v1