Works by Tarrat, Nathalie

Results: 23

Watson–Crick Base-Pairing Properties of Nucleic Acid Analogues with Stereocontrolled α and β Torsion Angles (α,β-D-CNAs)We thank the Centre Informatique National de l'Enseignement Supérieur (CINES) and the Centre Interuniversitaire de Calcul de Toulouse (CALMIP) for the generous allocation of computer time and Dr. M. Erard for assistance with the CD experiments. D-CNAs=constrained nucleic acids with dioxaphosphorinane ring.

Published in:

Angewandte Chemie, 2006, v. 118, n. 22, p. 3705, doi. 10.1002/ange.200504475

By:

Christelle Dupouy;
Nathalie Iché-Tarrat;
Marie-Pierre Durrieu;
Frédéric Rodriguez;
Jean-Marc Escudier;
Alain Vigroux

Publication type:

Article

Periodic DFTB for Supported Clusters: Implementation and Application on Benzene Dimers Deposited on Graphene.

Published in:

Computation, 2022, v. 10, n. 3, p. 39, doi. 10.3390/computation10030039

By:

Rapacioli, Mathias;
Tarrat, Nathalie

Publication type:

Article

Rücktitelbild: Carbohydrate Self‐Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100) (Angew. Chem. 25/2019).

Published in:

Angewandte Chemie, 2019, v. 131, n. 25, p. 8686, doi. 10.1002/ange.201906153

By:

Abb, Sabine;
Tarrat, Nathalie;
Cortés, Juan;
Andriyevsky, Bohdan;
Harnau, Ludger;
Schön, J. Christian;
Rauschenbach, Stephan;
Kern, Klaus

Publication type:

Article

Carbohydrate Self‐Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100).

Published in:

Angewandte Chemie, 2019, v. 131, n. 25, p. 8424, doi. 10.1002/ange.201901340

By:

Abb, Sabine;
Tarrat, Nathalie;
Cortés, Juan;
Andriyevsky, Bohdan;
Harnau, Ludger;
Schön, J. Christian;
Rauschenbach, Stephan;
Kern, Klaus

Publication type:

Article

The 3D Design of Multifunctional Silver Nanoparticle Assemblies Embedded in Dielectrics.

Published in:

Physica Status Solidi. A: Applications & Materials Science, 2020, v. 217, n. 6, p. 1, doi. 10.1002/pssa.201900619

By:

Bonafos, Caroline;
Bayle, Maxime;
Benzo, Patrizio;
Pugliara, Alessandro;
Makasheva, Kremena;
Carrada, Marzia;
Chery, Nicolas;
Balout, Hilal;
Benoit, Magali;
Tarrat, Nathalie;
Benassayag, Gérard;
Pécassou, Béatrice;
Navarro, Enrique;
Carles, Robert

Publication type:

Article

Density-functional tight-binding: basic concepts and applications to molecules and clusters.

Published in:

Advances in Physics: X, 2020, v. 5, n. 1, p. 1, doi. 10.1080/23746149.2019.1710252

By:

Spiegelman, Fernand;
Tarrat, Nathalie;
Cuny, Jérôme;
Dontot, Leo;
Posenitskiy, Evgeny;
Martí, Carles;
Simon, Aude;
Rapacioli, Mathias

Publication type:

Article

Synthesis and Structural Study of ribo-Dioxaphosphorinane-Constrained Nucleic Acid Dinucleotides ( ribo-α,β-D-CNA).

Published in:

European Journal of Organic Chemistry, 2012, v. 2012, n. 4, p. 721, doi. 10.1002/ejoc.201101353

By:

Maturano, Marie;
Catana, Dan-Andrei;
Lavedan, Pierre;
Tarrat, Nathalie;
Saffon, Nathalie;
Payrastre, Corinne;
Escudier, Jean-Marc

Publication type:

Article

Synthesis of Phostone-Constrained Nucleic Acid (P-CNA) Dinucleotides Through Intramolecular Arbuzov's Reaction.

Published in:

European Journal of Organic Chemistry, 2011, v. 2011, n. 34, p. 6857, doi. 10.1002/ejoc.201101061

By:

Catana, Dan-Andrei;
Maturano, Marie;
Payrastre, Corinne;
Lavedan, Pierre;
Tarrat, Nathalie;
Escudier, Jean-Marc

Publication type:

Article

Back Cover: Carbohydrate Self‐Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100) (Angew. Chem. Int. Ed. 25/2019).

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 25, p. 8594, doi. 10.1002/anie.201906153

By:

Abb, Sabine;
Tarrat, Nathalie;
Cortés, Juan;
Andriyevsky, Bohdan;
Harnau, Ludger;
Schön, J. Christian;
Rauschenbach, Stephan;
Kern, Klaus

Publication type:

Article

Carbohydrate Self‐Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100).

Published in:

Angewandte Chemie International Edition, 2019, v. 58, n. 25, p. 8336, doi. 10.1002/anie.201901340

By:

Abb, Sabine;
Tarrat, Nathalie;
Cortés, Juan;
Andriyevsky, Bohdan;
Harnau, Ludger;
Schön, J. Christian;
Rauschenbach, Stephan;
Kern, Klaus

Publication type:

Article

Methoxy radical adsorption on gold nanoparticles: a comparison with methanethiol and methylamine radicals.

Published in:

Adsorption, 2020, v. 26, n. 4, p. 579, doi. 10.1007/s10450-020-00232-5

By:

Fenouillet, Xavier;
Benoit, Magali;
Tarrat, Nathalie

Publication type:

Article

Influence of air exposure on structural isomers of silver nanoparticles.

Published in:

Communications Chemistry, 2023, v. 6, n. 1, p. 1, doi. 10.1038/s42004-023-00813-9

By:

Vernieres, Jerome;
Tarrat, Nathalie;
Lethbridge, Sean;
Watchorn-Rokutan, Erica;
Slater, Thomas;
Loffreda, David;
Palmer, Richard E.

Publication type:

Article

Dioxaphosphorinane-Constrained Nucleic Acid Dinucleotides as Tools for Structural Tuning of Nucleic Acids.

Published in:

Journal of Nucleic Acids, 2012, p. 1, doi. 10.1155/2012/215876

By:

Catana, Dan-Andrei;
Renard, Brice-Loïc;
Maturano, Marie;
Payrastre, Corinne;
Tarrat, Nathalie;
Escudier, Jean-Marc

Publication type:

Article

Adaptive Smith-Waterman residue match seeding for protein structural alignment.

Published in:

Proteins, 2013, v. 81, n. 10, p. 1823, doi. 10.1002/prot.24327

By:

Topham, Christopher M.;
Rouquier, Mickaël;
Tarrat, Nathalie;
André, Isabelle

Publication type:

Article

Surface-Charge Dependent Orientation of Water at the Interface of a Gold Electrode: A Cluster Study.

Published in:

Zeitschrift für Physikalische Chemie, 2018, v. 232, n. 9-11, p. 1583, doi. 10.1515/zpch-2018-1136

By:

Fazio, Gianluca;
Seifert, Gotthard;
Rapacioli, Mathias;
Tarrat, Nathalie;
Joswig, Jan-Ole

Publication type:

Article

Construction of a synthetic metabolic pathway for biosynthesis of the non-natural methionine precursor 2,4-dihydroxybutyric acid.

Published in:

Nature Communications, 2017, v. 8, n. 6, p. 15828, doi. 10.1038/ncomms15828

By:

Walther, Thomas;
Topham, Christopher M.;
Irague, Romain;
Auriol, Clément;
Baylac, Audrey;
Cordier, Hélène;
Dressaire, Clémentine;
Lozano-Huguet, Luce;
Tarrat, Nathalie;
Martineau, Nelly;
Stodel, Marion;
Malbert, Yannick;
Maestracci, Marc;
Huet, Robert;
André, Isabelle;
Remaud-Siméon, Magali;
François, Jean Marie

Publication type:

Article

Watson–Crick Base-Pairing Properties of Nucleic Acid Analogues with Stereocontrolled α and β Torsion Angles (α,β-D-CNAs)We thank the Centre Informatique National de l'Enseignement Supérieur (CINES) and the Centre Interuniversitaire de Calcul de Toulouse (CALMIP) for the generous allocation of computer time and Dr. M. Erard for assistance with the CD experiments. D-CNAs=constrained nucleic acids with dioxaphosphorinane ring.

Published in:

Angewandte Chemie International Edition, 2006, v. 45, n. 22, p. 3623, doi. 10.1002/anie.200504475

By:

Christelle Dupouy;
Nathalie Iché-Tarrat;
Marie-Pierre Durrieu;
Frédéric Rodriguez;
Jean-Marc Escudier;
Alain Vigroux

Publication type:

Article

Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca2+-montmorillonite clay surfaces.

Published in:

Journal of Computational Chemistry, 2017, v. 38, n. 3, p. 133, doi. 10.1002/jcc.24530

By:

Belzunces, Bastien;
Hoyau, Sophie;
Benoit, Magali;
Tarrat, Nathalie;
Bessac, Fabienne

Publication type:

Article

Linear Uranium Complexes X2UL5 with L=Cyanide, Isocyanate: DFT Evidence for Similarities between Uranyl (X=O) and Uranocene (X=Cp) Derivatives.

Published in:

Chemistry - A European Journal, 2008, v. 14, n. 7, p. 2093, doi. 10.1002/chem.200701511

By:

Iché-Tarrat, Nathalie;
Barros, Noémi;
Marsden, Colin J.;
Maron, Laurent

Publication type:

Article

Theoretical Evaluation of the Substrate-Assisted Catalysis Mechanism for the Hydrolysis of Phosphate Monoester Dianions.

Published in:

Chemistry - A European Journal, 2007, v. 13, n. 13, p. 3617, doi. 10.1002/chem.200601458

By:

Iché-Tarrat, Nathalie;
Ruiz-Lopez, Manuel;
Barthelat, Jean-Claude;
Vigroux, Alain

Publication type:

Article

Exploring energy landscapes at the DFTB quantum level using the threshold algorithm: the case of the anionic metal cluster Au20-.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 7, p. 1, doi. 10.1007/s00214-021-02748-7

By:

Rapacioli, Mathias;
Christian Schön, J.;
Tarrat, Nathalie

Publication type:

Article

Low-Energy Transformation Pathways between Naphthalene Isomers.

Published in:

Molecules, 2023, v. 28, n. 15, p. 5778, doi. 10.3390/molecules28155778

By:

Salomon, Grégoire;
Tarrat, Nathalie;
Schön, J. Christian;
Rapacioli, Mathias

Publication type:

Article

IGLOO: An Iterative Global Exploration and Local Optimization Algorithm to Find Diverse Low-Energy Conformations of Flexible Molecules.

Published in:

Algorithms, 2023, v. 16, n. 10, p. 476, doi. 10.3390/a16100476

By:

Margerit, William;
Charpentier, Antoine;
Maugis-Rabusseau, Cathy;
Schön, Johann Christian;
Tarrat, Nathalie;
Cortés, Juan

Publication type:

Article

Works by Tarrat, Nathalie

Periodic DFTB for Supported Clusters: Implementation and Application on Benzene Dimers Deposited on Graphene.

Rücktitelbild: Carbohydrate Self‐Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100) (Angew. Chem. 25/2019).

Carbohydrate Self‐Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100).

The 3D Design of Multifunctional Silver Nanoparticle Assemblies Embedded in Dielectrics.

Density-functional tight-binding: basic concepts and applications to molecules and clusters.

Synthesis and Structural Study of ribo-Dioxaphosphorinane-Constrained Nucleic Acid Dinucleotides ( ribo-α,β-D-CNA).

Synthesis of Phostone-Constrained Nucleic Acid (P-CNA) Dinucleotides Through Intramolecular Arbuzov's Reaction.

Back Cover: Carbohydrate Self‐Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100) (Angew. Chem. Int. Ed. 25/2019).

Carbohydrate Self‐Assembly at Surfaces: STM Imaging of Sucrose Conformation and Ordering on Cu(100).

Methoxy radical adsorption on gold nanoparticles: a comparison with methanethiol and methylamine radicals.

Influence of air exposure on structural isomers of silver nanoparticles.

Dioxaphosphorinane-Constrained Nucleic Acid Dinucleotides as Tools for Structural Tuning of Nucleic Acids.

Adaptive Smith-Waterman residue match seeding for protein structural alignment.

Surface-Charge Dependent Orientation of Water at the Interface of a Gold Electrode: A Cluster Study.

Construction of a synthetic metabolic pathway for biosynthesis of the non-natural methionine precursor 2,4-dihydroxybutyric acid.

Theoretical study of the atrazine pesticide interaction with pyrophyllite and Ca<sup>2+</sup>-montmorillonite clay surfaces.

Linear Uranium Complexes X<sub>2</sub>UL<sub>5</sub> with L=Cyanide, Isocyanate: DFT Evidence for Similarities between Uranyl (X=O) and Uranocene (X=Cp) Derivatives.

Theoretical Evaluation of the Substrate-Assisted Catalysis Mechanism for the Hydrolysis of Phosphate Monoester Dianions.

Exploring energy landscapes at the DFTB quantum level using the threshold algorithm: the case of the anionic metal cluster Au20-.

Low-Energy Transformation Pathways between Naphthalene Isomers.

IGLOO: An Iterative Global Exploration and Local Optimization Algorithm to Find Diverse Low-Energy Conformations of Flexible Molecules.