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	1 2	Sort  Relevance  Author A→Z  Author Z→A  Title A→Z  Title Z→A  Date de publication croissante  Date de publication décroissante  Date de dépôt croissante  Date de dépôt décroissante Number 30 results per page 50 results per page 100 results per page × Merci d'indiquer la raison de votre demande Annuler Envoyer la demande  Tools  o  Export XML-TEI BibTeX EndNote CSV PDF RTF  Advanced export...  Syndicated feeds RSS ATOM
	hal-01806660v1  Journal articles Nathalie Tarrat, Mathias Rapacioli, Fernand Spiegelman. Au 147 nanoparticles: Ordered or amorphous? Journal of Chemical Physics, American Institute of Physics, 2018, 148 (20), pp.204308. ⟨10.1063/1.5021785⟩
	hal-00950346v1  Journal articles Nathalie Tarrat, Jean-Claude Barthelat, Alain Vigroux. Theoretical Study of Specific Hydrogen-Bonding Effects on the Bridging P−OR Bond Strength of Phosphate Monoester Dianions Journal of Physical Chemistry B, American Chemical Society, 2008, 112 (10), pp.3217-3221. ⟨10.1021/jp710945w⟩
	hal-01754877v1  Journal articles Nathalie Tarrat, Jean-Claude Barthelat, Daniel Rinaldi, Alain Vigroux. Theoretical Studies of the Hydroxide-Catalyzed P−O Cleavage Reactions of Neutral Phosphate Triesters and Diesters in Aqueous Solution: Examination of the Changes Induced by H/Me Substitution Journal of Physical Chemistry B, American Chemical Society, 2005, 109 (47), pp.22570 - 22580. ⟨10.1021/jp0550558⟩
	hal-01755328v1  Journal articles Arnaud Boissonnet, Christelle Dupouy, Pierre Millard, Marie-Pierre Durrieu, Nathalie Tarrat et al.  α,β-D-CNA featuring canonical and noncanonical α/β torsional angles behaviours within oligonucleotides New Journal of Chemistry, Royal Society of Chemistry, 2011, 35 (7), ⟨10.1039/C1NJ20086K⟩
	hal-01755496v1  Journal articles Hao Tang, Nathalie Tarrat, Véronique Langlais, Yongfeng Wang. Adsorption of iron tetraphenylporphyrin on (111) surfaces of coinage metals: a density functional theory study Beilstein Journal of Nanotechnology, Karlsruhe Institute of Technology., 2017, 8, pp.2484 - 2491. ⟨10.3762/bjnano.8.248⟩
	hal-01919052v1  Journal articles Xavier Fenouillet, Magali Benoit, Nathalie Tarrat. On the role of intermolecular interactions in stabilizing AuNP@Ampicillin nano-antibiotics Materialia, 2018, 4, pp.297. ⟨10.1016/j.mtla.2018.09.036⟩
	hal-01755340v1  Journal articles Dan-Andrei Catana, Brice-Loïc Renard, Marie Maturano, Corinne Payrastre, Nathalie Tarrat et al.  Dioxaphosphorinane-Constrained Nucleic Acid Dinucleotides as Tools for Structural Tuning of Nucleic Acids Journal of Nucleic Acids , Hindawi Publishing Corporation, 2012, 2012, pp.1 - 17. ⟨10.1155/2012/215876⟩
	hal-01779774v1  Journal articles Mathias Rapacioli, Nathalie Tarrat, Fernand Spiegelman. Melting of the Au 20 Gold Cluster: Does Charge Matter? Journal of Physical Chemistry A, American Chemical Society, 2018, 122 (16), pp.4092 - 4098. ⟨10.1021/acs.jpca.7b12522⟩
	hal-01392312v1  Journal articles Luiz Oliveira, Nathalie Tarrat, Jérôme Cuny, Joseph Morillo, Didier Lemoine et al.  Benchmarking Density Functional Based Tight-Binding for Silver and Gold Materials: From Small Clusters to Bulk Journal of Physical Chemistry A, American Chemical Society, 2016, 120 (42), pp.8469-8483. ⟨10.1021/acs.jpca.6b09292⟩
	hal-00952031v1  Journal articles Nathalie Tarrat, Colin Marsden. Examining the Performance of DFT Methods in Uranium chemistry : does Core Size Matter for a Pseudopotential ? Journal of Physical Chemistry A, American Chemical Society, 2008, 112 (33), pp.7632-7642. ⟨10.1021/jp801124u⟩
	hal-00951616v1  Journal articles Nathalie Tarrat, Barros Noémi, Colin Marsden, Laurent Maron. Linear Uranium Complexes X2UL5 with L=Cyanide, Isocyanate: DFT Evidence for Similarities between Uranyl (X=O) and Uranocene (X=Cp) Derivatives Chemistry - A European Journal, Wiley-VCH Verlag, 2008, 14 (7), pp.2093-2099. ⟨10.1002/chem.200701511⟩
	hal-00967288v1  Journal articles Nathalie Tarrat, Manuel Ruiz-Lopez, Jean-Claude Barthelat, Alain Vigroux. Theoretical Evaluation of the Substrate-Assisted Catalysis Mechanism for the Hydrolysis of Phosphate Monoester Dianions Chemistry - A European Journal, Wiley-VCH Verlag, 2007, 13 (13), pp.3617-3629. ⟨10.1002/chem.200601458⟩
	hal-01755341v1  Journal articles Magali Benoit, Nathalie Tarrat, Joseph Morillo. Density functional theory investigations of titanium γ -surfaces and stacking faults Modelling and Simulation in Materials Science and Engineering, IOP Publishing, 2013, 21 (1), pp.015009. ⟨10.1088/0965-0393/21/1/015009⟩
	hal-01755488v1  Conference papers Patrizio Benzo, Magali Benoit, Nathalie Tarrat, Cyril Langlois, R. Arenal et al.  Controlled synthesis of core-shell Fe@Au faceted nanoparticles 2016 IEEE Nanotechnology Materials and Devices Conference (NMDC), Oct 2016, Toulouse, France. ⟨10.1109/NMDC.2016.7777160⟩
	hal-01755491v1  Journal articles Fatah Chiter, van Bac Nguyen, Nathalie Tarrat, Magali Benoit, Hao Tang et al.  Effect of van der Waals corrections on DFT-computed metallic surface properties Materials Research Express, IOP Publishing Ltd, 2016, 3 (4), pp.046501. ⟨10.1088/2053-1591/3/4/046501⟩
	hal-01755320v1  Journal articles Nathalie Tarrat. Alkaline hydrolysis of phosphate triesters in solution: Stepwise or concerted? A theoretical study Journal of Molecular Structure: THEOCHEM, Elsevier, 2010, 941 (1-3), pp.56 - 60. ⟨10.1016/j.theochem.2009.11.001⟩
	hal-01726242v1  Journal articles Nathalie Tarrat, Magali Benoit, Daniel Caillard, Lisa Ventelon, Nicolas Combe et al.  Screw dislocation in hcp Ti : DFT dislocation excess energies and metastable core structures Modelling and Simulation in Materials Science and Engineering, 2014, 22 (5), pp.055016. ⟨10.1088/0965-0393/22/5/055016⟩
	hal-01755480v1  Journal articles Magali Benoit, Nathalie Tarrat, Joseph Morillo. Adsorption energy of small molecules on core–shell Fe@Au nanoparticles: tuning by shell thickness Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2016, 18 (13), pp.9112 - 9123. ⟨10.1039/C5CP06258F⟩
	hal-02326863v1  Journal articles Mathias Rapacioli, Fernand Spiegelman, Nathalie Tarrat. Evidencing the relationship between isomer spectra and melting: the 20- and 55-atom silver and gold cluster cases Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21 (45), pp.24857-24866. ⟨10.1039/C9CP03897C⟩
	hal-01426616v1  Journal articles Miao Liu, Patrizio Benzo, Hao Tang, Marion Castiella, Bénédicte Warot-Fonrose et al.  Magnetism and Morphology in Faceted B2-ordered FeRh Nanoparticles EPL - Europhysics Letters, European Physical Society/EDP Sciences/Società Italiana di Fisica/IOP Publishing, 2016, 116 (2), pp.27006
	hal-01483785v1  Journal articles Bastien Belzunces, Sophie Hoyau, Magali Benoit, Nathalie Tarrat, Fabienne Bessac. Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca2+-montmorillonite clay surfaces Journal of Computational Chemistry, Wiley, 2017, 38 (3), pp.133-143. ⟨10.1002/jcc.24530⟩
	hal-01529346v1  Journal articles Nathalie Tarrat, Mathias Rapacioli, Jérôme Cuny, Joseph Morillo, Jean-Louis Heully et al.  Global optimization of neutral and charged 20- and 55-atom silver and gold clusters at the DFTB level Computational and Theoretical Chemistry, Elsevier, 2017, 1107, pp.102-114. ⟨10.1016/j.comptc.2017.01.022⟩
	hal-01847474v1  Journal articles Jérôme Cuny, Nathalie Tarrat, Fernand Spiegelman, Arthur Huguenot, Mathias Rapacioli. Density-functional tight-binding approach for metal clusters, nanoparticles, surfaces and bulk: application to silver and gold Journal of Physics: Condensed Matter, IOP Publishing, 2018, 30 (30), pp.303001. ⟨10.1088/1361-648X/aacd6c⟩
	hal-01754887v1  Journal articles Christelle Dupouy, Nathalie Tarrat, Marie-Pierre Durrieu, Frédéric Rodriguez, Jean-Marc Escudier et al.  Watson–Crick Base-Pairing Properties of Nucleic Acid Analogues with Stereocontrolled α and β Torsion Angles (α,β-D-CNAs) Angewandte Chemie International Edition, Wiley-VCH Verlag, 2006, 45 (22), pp.3623 - 3627. ⟨10.1002/anie.200504475⟩
	hal-02146428v1  Journal articles Sabine Abb, Nathalie Tarrat, Juan Cortés, Bohdan Andriyevsky, Ludger Harnau et al.  Carbohydrate Self-Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100) Angewandte Chemie International Edition, Wiley-VCH Verlag, 2019, 58 (25), pp.8336-8340. ⟨10.1002/anie.201901340⟩
	hal-01755334v1  Journal articles Dan-Andrei Catana, Marie Maturano, Corinne Payrastre, Pierre Lavedan, Nathalie Tarrat et al.  Synthesis of Phostone-Constrained Nucleic Acid (P-CNA) Dinucleotides Through Intramolecular Arbuzov's Reaction European Journal of Organic Chemistry, Wiley-VCH Verlag, 2011, 2011 (34), pp.6857 - 6863. ⟨10.1002/ejoc.201101061⟩
	hal-02381450v1  Journal articles Hilal Balout, Nathalie Tarrat, Joël Puibasset, Simona Ispas, Caroline Bonafos et al.  Density Functional Theory Study of the Spontaneous Formation of Covalent Bonds at the Silver/Silica Interface in Silver Nanoparticles Embedded in SiO 2 : Implications for Ag + Release ACS Applied Nano Materials, American Chemical Society, 2019, 2 (8), pp.5179-5189. ⟨10.1021/acsanm.9b01049⟩
	hal-01755288v1  Journal articles Christelle Dupouy, Nathalie Tarrat, Marie-Pierre Durrieu, Alain Vigroux, Jean-Marc Escudier. α,β-D-CNA induced rigidity within oligonucleotides Organic and Biomolecular Chemistry, Royal Society of Chemistry, 2008, 6 (16), ⟨10.1039/B809775E⟩
	hal-02326835v1  Journal articles Jean-Marc Escudier, Corinne Payrastre, Béatrice Gerland, Nathalie Tarrat. Convertible and conformationally constrained nucleic acids (C 2 NAs) Organic and Biomolecular Chemistry, Royal Society of Chemistry, 2019, 17 (26), pp.6386-6397. ⟨10.1039/C9OB01150A⟩
	hal-02370437v1  Journal articles Sabine Abb, Nathalie Tarrat, Juan Cortés, Bohdan Andriyevsky, Ludger Harnau et al.  Polymorphism in carbohydrate self-assembly at surfaces: STM imaging and theoretical modelling of trehalose on Cu(100) RSC Advances, Royal Society of Chemistry, 2019, 9 (61), pp.35813-35819. ⟨10.1039/C9RA06764G⟩
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