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Items: 40

1.

Identification of parameters in systems biology.

Abdulla UG, Poteau R.

Math Biosci. 2018 Nov;305:133-145. doi: 10.1016/j.mbs.2018.09.004. Epub 2018 Sep 12.

PMID:
30217694
2.

Ultrathin Gold Nanowires with the Polytetrahedral Structure of Bulk Manganese.

Vargas JA, Petkov V, Nouh ESA, Ramamoorthy RK, Lacroix LM, Poteau R, Viau G, Lecante P, Arenal R.

ACS Nano. 2018 Sep 25;12(9):9521-9531. doi: 10.1021/acsnano.8b05036. Epub 2018 Sep 14.

PMID:
30199625
3.

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

Nouh ESA, Baquero EA, Lacroix LM, Delpech F, Poteau R, Viau G.

Langmuir. 2017 Jun 6;33(22):5456-5463. doi: 10.1021/acs.langmuir.7b00477. Epub 2017 May 22.

PMID:
28489394
4.

Zwitterionic amidinates as effective ligands for platinum nanoparticle hydrogenation catalysts.

Martínez-Prieto LM, Cano I, Márquez A, Baquero EA, Tricard S, Cusinato L, Del Rosal I, Poteau R, Coppel Y, Philippot K, Chaudret B, Cámpora J, van Leeuwen PWNM.

Chem Sci. 2017 Apr 1;8(4):2931-2941. doi: 10.1039/c6sc05551f. Epub 2017 Feb 1.

5.

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

Cusinato L, Del Rosal I, Poteau R.

Dalton Trans. 2017 Jan 3;46(2):378-395. doi: 10.1039/c6dt04207d.

PMID:
27934982
6.

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

Cusinato L, Martínez-Prieto LM, Chaudret B, Del Rosal I, Poteau R.

Nanoscale. 2016 Jun 7;8(21):10974-92. doi: 10.1039/c6nr01191h. Epub 2016 May 12.

PMID:
27172520
7.

Enantiospecific C-H Activation Using Ruthenium Nanocatalysts.

Taglang C, Martínez-Prieto LM, del Rosal I, Maron L, Poteau R, Philippot K, Chaudret B, Perato S, Sam Lone A, Puente C, Dugave C, Rousseau B, Pieters G.

Angew Chem Int Ed Engl. 2015 Sep 1;54(36):10474-7. doi: 10.1002/anie.201504554.

PMID:
26371960
8.

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

Fischer G, Poteau R, Lachaize S, Gerber IC.

Langmuir. 2014 Oct 7;30(39):11670-80. doi: 10.1021/la502963n. Epub 2014 Sep 26.

PMID:
25259402
9.

Tin-decorated ruthenium nanoparticles: a way to tune selectivity in hydrogenation reaction.

Bonnefille E, Novio F, Gutmann T, Poteau R, Lecante P, Jumas JC, Philippot K, Chaudret B.

Nanoscale. 2014 Aug 21;6(16):9806-16. doi: 10.1039/c4nr00791c.

PMID:
25027477
10.

Ligand-field theory-based analysis of the adsorption properties of ruthenium nanoparticles.

Del Rosal I, Mercy M, Gerber IC, Poteau R.

ACS Nano. 2013 Nov 26;7(11):9823-35. doi: 10.1021/nn403364p. Epub 2013 Oct 9.

PMID:
24083468
11.

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

Gutmann T, Bonnefille E, Breitzke H, Debouttière PJ, Philippot K, Poteau R, Buntkowsky G, Chaudret B.

Phys Chem Chem Phys. 2013 Oct 28;15(40):17383-94. doi: 10.1039/c3cp52927d.

PMID:
24022656
12.

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

Gutmann T, del Rosal I, Chaudret B, Poteau R, Limbach HH, Buntkowsky G.

Chemphyschem. 2013 Sep 16;14(13):3026-33. doi: 10.1002/cphc.201300200. Epub 2013 May 9.

PMID:
23658058
13.

On an unbiased and consistent estimator for mutation rates.

Niccum BA, Poteau R, Hamman GE, Varada JC, Dshalalow JH, Sinden RR.

J Theor Biol. 2012 May 7;300:360-7. doi: 10.1016/j.jtbi.2012.01.029. Epub 2012 Feb 8.

PMID:
22326895
14.

Ruthenium nanoparticles stabilized by N-heterocyclic carbenes: ligand location and influence on reactivity.

Lara P, Rivada-Wheelaghan O, Conejero S, Poteau R, Philippot K, Chaudret B.

Angew Chem Int Ed Engl. 2011 Dec 9;50(50):12080-4. doi: 10.1002/anie.201106348. Epub 2011 Oct 28. No abstract available.

PMID:
22038786
15.

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

del Rosal I, Gutmann T, Walaszek B, Gerber IC, Chaudret B, Limbach HH, Buntkowsky G, Poteau R.

Phys Chem Chem Phys. 2011 Dec 7;13(45):20199-207. doi: 10.1039/c1cp22081k. Epub 2011 Oct 12.

PMID:
21993614
16.

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

Poblador-Bahamonde AI, Poteau R, Raynaud C, Eisenstein O.

Dalton Trans. 2011 Nov 14;40(42):11321-6. doi: 10.1039/c1dt11135c. Epub 2011 Oct 5.

PMID:
21975698
17.

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.

Del Rosal I, Poteau R, Maron L.

Dalton Trans. 2011 Nov 14;40(42):11211-27. doi: 10.1039/c1dt10566c. Epub 2011 Sep 20.

PMID:
21935526
18.

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

Gerber I, Oubenali M, Bacsa R, Durand J, Gonçalves A, Pereira MF, Jolibois F, Perrin L, Poteau R, Serp P.

Chemistry. 2011 Oct 4;17(41):11467-77. doi: 10.1002/chem.201101438. Epub 2011 Sep 16.

PMID:
21922575
19.

DFT study of the ring opening polymerization of ε-caprolactone by grafted lanthanide complexes: 2--Effect of the initiator ligand.

Del Rosal I, Poteau R, Maron L.

Dalton Trans. 2011 Nov 14;40(42):11228-40. doi: 10.1039/c1dt10567a. Epub 2011 Sep 14.

PMID:
21918766
20.

Hydrido-ruthenium cluster complexes as models for reactive surface hydrogen species of ruthenium nanoparticles. Solid-state 2H NMR and quantum chemical calculations.

Gutmann T, Walaszek B, Yeping X, Wächtler M, del Rosal I, Grünberg A, Poteau R, Axet R, Lavigne G, Chaudret B, Limbach HH, Buntkowsky G.

J Am Chem Soc. 2010 Aug 25;132(33):11759-67. doi: 10.1021/ja104229a.

PMID:
20684514
21.

Grafting of lanthanide complexes on silica surfaces: a theoretical investigation.

Del Rosal I, Gerber IC, Poteau R, Maron L.

J Phys Chem A. 2010 Jun 3;114(21):6322-30. doi: 10.1021/jp101495n.

PMID:
20462244
22.

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

del Rosal I, Gutmann T, Maron L, Jolibois F, Chaudret B, Walaszek B, Limbach HH, Poteau R, Buntkowsky G.

Phys Chem Chem Phys. 2009 Jul 21;11(27):5657-63.

PMID:
19842483
23.

Where does hydrogen adsorb on Ru nanoparticles? A powerful joint (2)H MAS-NMR/DFT approach.

Tru Andier LA, Del Rosal I, Chaudret B, Poteau R, Gerber IC.

Chemphyschem. 2009 Dec 7;10(17):2939-42. doi: 10.1002/cphc.200900597. No abstract available.

PMID:
19830774
24.

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

Prouillac C, Vicendo P, Garrigues JC, Poteau R, Rima G.

Free Radic Biol Med. 2009 Apr 15;46(8):1139-48. doi: 10.1016/j.freeradbiomed.2009.01.016. Epub 2009 Jan 29.

PMID:
19439222
25.

Ligand effect on the NMR, vibrational and structural properties of tetra- and hexanuclear ruthenium hydrido clusters: a theoretical investigation.

Del Rosal I, Jolibois F, Maron L, Philippot K, Chaudret B, Poteau R.

Dalton Trans. 2009 Mar 28;(12):2142-56. doi: 10.1039/b817055j. Epub 2009 Feb 3.

PMID:
19274293
26.
27.

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

del Rosal I, Maron L, Poteau R, Jolibois F.

Dalton Trans. 2008 Aug 14;(30):3959-70. doi: 10.1039/b802190b. Epub 2008 May 7.

PMID:
18648699
28.

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

Fischer L, Didierjean C, Jolibois F, Semetey V, Manuel Lozano J, Briand JP, Marraud M, Poteau R, Guichard G.

Org Biomol Chem. 2008 Jul 21;6(14):2596-610. doi: 10.1039/b801139g. Epub 2008 May 15.

PMID:
18600281
29.

Estimating the "steric clash" at cis peptide bonds.

Mathieu S, Poteau R, Trinquier G.

J Phys Chem B. 2008 Jul 3;112(26):7894-902. doi: 10.1021/jp711082d. Epub 2008 Jun 11.

PMID:
18543981
30.

Rare-earth metal alkyl and hydride complexes stabilized by a cyclen-derived [NNNN] macrocyclic ancillary ligand.

Ohashi M, Konkol M, Del Rosal I, Poteau R, Maron L, Okuda J.

J Am Chem Soc. 2008 Jun 4;130(22):6920-1. doi: 10.1021/ja801771u. Epub 2008 May 8.

PMID:
18461944
31.

All-cis helical polypeptides.

Poteau R, Trinquier G.

J Org Chem. 2007 Oct 26;72(22):8251-8. Epub 2007 Oct 4.

PMID:
17915921
32.

Amphiphilic organic ion pairs in solution: a theoretical study.

Pradines V, Poteau R, Pimienta V.

Chemphyschem. 2007 Jul 16;8(10):1524-33.

PMID:
17551912
33.
35.

All-cis cyclic peptides.

Poteau R, Trinquier G.

J Am Chem Soc. 2005 Oct 12;127(40):13875-89.

PMID:
16201809
36.

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

Ramírez-Solís A, Poteau R, Vela A, Daudey JP.

J Chem Phys. 2005 Apr 22;122(16):164306.

PMID:
15945683
37.

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.

Gutierrez F, Tedeschi C, Maron L, Daudey JP, Poteau R, Azema J, Tisnès P, Picard C.

Dalton Trans. 2004 May 7;(9):1334-47. Epub 2004 Mar 23.

PMID:
15252626
38.

Using effective group potential methodology for predicting organometallic complex properties.

Alary F, Heully JL, Poteau R, Maron L, Trinquier G, Daudey JP.

J Am Chem Soc. 2003 Sep 10;125(36):11051-61.

PMID:
12952487
39.

Recent progress in atomic and chemical group effective potentials.

Maron L, Teichteil C, Poteau R, Alary F.

J Chem Inf Comput Sci. 2001 Jan-Feb;41(1):43-9.

PMID:
11206381
40.

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

Poteau R, Spiegelmann F.

Phys Rev B Condens Matter. 1992 Jan 15;45(4):1878-1888. No abstract available.

PMID:
10001690

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