List of works - Romuald Poteau

2H NMR calculations on polynuclear transition metal complexes: on the influence of local symmetry and other factors

scientific article published on 12 October 2011

All-cisCyclic Peptides

scientific article published on 01 October 2005

All-cisHelical Polypeptides

scientific article published on 04 October 2007

Amphiphilic Organic Ion Pairs in Solution: A Theoretical Study

article

Carboxylic acid-capped ruthenium nanoparticles: experimental and theoretical case study with ethanoic acid

scientific article published on 01 May 2019

Comparative studies of the spectroscopy of CuCl2: DFT versus standard ab initio approaches

scientific article published on 01 April 2005

DFT 2H quadrupolar coupling constants of ruthenium complexes: a good probe of the coordination of hydrides in conjuction with experiments

scientific article published in July 2009

DFT calculations of 1H and 13C NMR chemical shifts in transition metal hydrides.

scientific article published on 7 May 2008

DFT calculations of 29Si-NMR chemical shifts in Ru(ii) silyl complexes: Searching for trends and accurate values

scientific article published on 05 October 2011

DFT study of the Ring Opening Polymerization of ε-caprolactone by grafted lanthanide complexes: 1—Effect of the grafting mode on the reactivity of borohydride complexes

scientific article published on 20 September 2011

DFT study of the Ring Opening Polymerization of ε-caprolactone by grafted lanthanide complexes: 2—Effect of the initiator ligand

scientific article published on 14 September 2011

Distance-dependent Hückel-type model for the study of sodium clusters

scientific article published on 01 January 1992

Enantiospecific C-H Activation Using Ruthenium Nanocatalysts

scientific article published in September 2015

Estimating the "steric clash" at cis peptide bonds

scientific article published on 11 June 2008

Evaluation of new thiadiazoles and benzothiazoles as potential radioprotectors: free radical scavenging activity in vitro and theoretical studies (QSAR, DFT).

scientific article published on 29 January 2009

From molecular complexes to complex metallic nanostructures--2H solid-state NMR studies of ruthenium-containing hydrogenation catalysts.

scientific article published on 9 May 2013

Hydrido-Ruthenium Cluster Complexes as Models for Reactive Surface Hydrogen Species of Ruthenium Nanoparticles. Solid-State2H NMR and Quantum Chemical Calculations

article

Investigation of the surface chemistry of phosphine-stabilized ruthenium nanoparticles--an advanced solid-state NMR study

scientific article published in October 2013

Ligand-Capped Ru Nanoparticles as Efficient Electrocatalyst for the Hydrogen Evolution Reaction

article published in 2018

Ligand-Field Theory-Based Analysis of the Adsorption Properties of Ruthenium Nanoparticles

scientific article published on 09 October 2013

Modeling C5H5with Atoms or Effective Group Potential in Lanthanide Complexes: Isolobality Not the Determining Factor

article published in 2002

Propensity for local folding induced by the urea fragment in short-chain oligomers

scientific article published on 15 May 2008

Quantum chemistry-based interpretations on the lowest triplet state of luminescent lanthanides complexes. Part 1. Relation between the triplet state energy of hydroxamate complexes and their luminescence properties

scientific article published on 23 March 2004

Rare-Earth Metal Alkyl and Hydride Complexes Stabilized by a Cyclen-Derived [NNNN] Macrocyclic Ancillary Ligand

scientific article published on 08 May 2008

Ruthenium Nanoparticles Stabilized by N-Heterocyclic Carbenes: Ligand Location and Influence on Reactivity

scientific article published on 28 October 2011

Shape, electronic structure and steric effects of organometallic nanocatalysts: relevant tools to improve the synergy between theory and experiment.

scientific article published on 9 December 2016

Surface-Engineering of Ultrathin Gold Nanowires: Tailored Self-Assembly and Enhanced Stability.

scientific article

Surfaces of a colloidal iron nanoparticle in its chemical environment: a DFT description

scientific article published on 26 September 2014

Synthesis and reactivity of [penta(4-halogenophenyl)cyclopentadienyl][hydrotris(indazolyl)borato]ruthenium(II) complexes: rotation-induced Fosbury flop in an organometallic molecular turnstile

scientific article published in January 2008

The electronic spectrum of AgCl2: ab initio benchmark versus density-functional theory calculations on the lowest ligand-field states including spin-orbit effects.

scientific article published in January 2006

Theoretical Study of Ln(III) Complexes with Polyaza-Aromatic Ligands: Geometries of [LnL(H2O)n]3+Complexes and Successes and Failures of TD-DFT

scientific article published on 01 May 2005

Theoretical and experimental studies on the carbon-nanotube surface oxidation by nitric acid: interplay between functionalization and vacancy enlargement

scientific article published on 16 September 2011

Theoretical characterization of the surface composition of ruthenium nanoparticles in equilibrium with syngas