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Romuald Poteau

8
Documents

Présentation

I am Professor of Physical and Theoretical Chemistry at the [Paul Sabatier University](http://www.univ-tlse3.fr/) of Toulouse, in the[ Laboratory of Physics and Chemistry of Nano-Objets (LPCNO)](http://lpcno.insa-toulouse.fr/?lang=en). In 1993 I received a PhD in theoretical chemistry from the same university. From 1997 to 1999 I occupied a two-year full-time research position at the CNRS, dedicated to the development of molecular pseudopotentials. In 2002, I obtained the so-called Habilitation à Diriger des Recherches, entitled “Functional chemical groups: actors or spectators?”. Among other responsibilities, I am the current head of the Physical and Chemical Modeling group of this laboratory, since 2007, member of the executive committee of the [NEXT project](http://www.next-toulouse.eu/), and head of the new NanoX Graduate School of Research in Toulouse. My research interests include Metal clusters and Nanoclusters, Coordination Chemistry and Theoretical Inorganic Chemistry, Peptidomimetic Compounds, Global Optimization Methods, Molecular Pseudopotentials, Spectroscopic Properties of Large Molecules, mainly using DFT methods. These last years, I am attempting to bridging the gap between molecular inorganic chemistry and nanochemistry.

Publications

laurent-maron
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Hydrogen isotope exchange catalyzed by Ru nanocatalysts: labelling of complex molecules containing N-heterocycles and reaction mechanism insights

Viktor Pfeifer , Marie Certiat , Donia Bouzouita , Alberto Palazzolo , Sébastien Garcia-Argote
Chemistry - A European Journal, 2020, 26, pp.4988-4996. ⟨10.1002/chem.201905651⟩
Article dans une revue cea-02487414v1

Enantiospecific C-H activation using ruthenium nanocatalysts

Céline Taglang , Luis Miguel Martinez-Pietro , Iker Del rosal , Laurent Maron , Romuald Poteau
Angewandte Chemie International Edition, 2015, 54 (36), pp.10474-10477. ⟨10.1002/anie.201504554⟩
Article dans une revue hal-01920824v1
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Grafting of lanthanide complexes on silica surfaces dehydroxylated at 200 °C: a theoretical investigation

Iker Del rosal , I.C. Gerber , Romuald Poteau , Laurent Maron
New Journal of Chemistry, 2015, 39 (10), pp.7703-7715
Article dans une revue hal-01969145v1
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Ultrathin Gold Nanowires: Soft-Templating versus Liquid Phase Synthesis, a Quantitative Study

Anais Loubat , Lise-Marie Lacroix , Antoine Robert , Marianne Imperor-Clerc , Romuald Poteau
Journal of Physical Chemistry C, 2015, 119 (8), pp.4422-4430. ⟨10.1021/acs.jpcc.5b00242⟩
Article dans une revue hal-02020268v1

Yttrium Dihydride Cation [YH 2 (THF) 2 ] + n : Aggregate Formation and Reaction with (NNNN)-Type Macrocycles

Stefan Arndt , Mathias Kramer , Waldemar Fegler , Yumiko Nakajima , Iker Del rosal
Organometallics, 2015, 34 (15), pp.3739-3747
Article dans une revue hal-01969418v1
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Multicentered effective group potentials: ligand-field effects in organometallic clusters and dynamical study of chemical reactivity

Christophe Raynaud , Iker Del rosal , Franck Jolibois , Laurent Maron , Romuald Poteau
Theoretical Chemistry Accounts: Theory, Computation, and Modeling, 2010, 126 (3-4), pp.151-163. ⟨10.1007/s00214-009-0615-z⟩
Article dans une revue hal-00493604v1

Theoretical proposal for an organometallic route to cis-peptides

Georges Trinquier , Romuald Poteau , Laurent Maron , Bruno Chaudret
New Journal of Chemistry, 2009, 33 (9), pp.1833-1836. ⟨10.1039/B904139G⟩
Article dans une revue hal-00835609v1

Ab initio molecular dynamics simulation of the UV absorption spectrum of β-ionone

Christophe Raynaud , Romuald Poteau , Laurent Maron , Franck Jolibois
Journal of Molecular Structure: THEOCHEM, 2006, 771 (1-3), pp.43-50. ⟨10.1016/j.theochem.2006.03.038⟩
Article dans une revue hal-00171228v1