Výsledky vyhledávání - "Nicolas Seeboth"

A Multiscale Modelling Approach for the Design of new Polymer Materials

Autor: Sébastien Garruchet, Nicolas Seeboth, Benoit Latour, Patrice Malfreyt, Alain Dequidt, Ronald Blaak, Nicolas Martzel, Etienne Munch

Publikováno v: 30th European Symposium on Computer Aided Process Engineering
30th European Symposium on Computer Aided Process Engineering, pp.25-30, 2020, ⟨10.1016/B978-0-12-823377-1.50005-7⟩
ESCAPE30, 30th European Symposium on Computer Aided Process Engineering
ESCAPE30, 30th European Symposium on Computer Aided Process Engineering, Aug 2020, Milan, Italy

We report examples of industrial interests for which only multi-scale simulations are able to provide bridges between consecutive scales. We focus here on the transfer of information between the atomic and mesoscopic scales. We treat the impact of th

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::3442dbc5e323c4127a49b1a29f08b19a
https://hal.archives-ouvertes.fr/hal-03109551

Zobrazit plný text záznamu

Synthesis of pyridinium ylides and simulation of their 1,3-dipolar cycloaddition mechanism

Autor: Mikhail M. Krayushkin, Nicolas Seeboth, Dmitriy V. Tsyganov, Tatyana S. Pivina, Sergey Ivanov, Anne-Frédérique Salit, Maxim R. Radzhabov

Publikováno v: Mendeleev Communications. 27:503-505

Synthesis of some pyridinium ylides with different 4-R-phenyl substituents (R = H, MeO, Me, NO2, F) has been performed. Quantum-chemical calculations on the spatial and electronic structure, as well as the modeling of 1,3-dipolar cycloadddition react

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::5728b1a2eb1346fea20120bcec9dd0bc
https://doi.org/10.1016/j.mencom.2017.09.025

Zobrazit plný text záznamu

Development of a coarse-grain model for the description of the metal oxide-polymer interface from a bottom-up approach

Autor: Benoit Schnell, Etienne Munch, Julien Devémy, José G. Solano Canchaya, Ronald Blaak, Nicolas Seeboth, Sébastien Garruchet, Benoit Latour, Nicolas Martzel, Florent Goujon, Alain Dequidt, Patrice Malfreyt

Publikováno v: Journal of Chemical Physics
Journal of Chemical Physics, American Institute of Physics, 2019, 151 (6), pp.064703. ⟨10.1063/1.5115148⟩
Journal of Chemical Physics, 2019, 151 (6), pp.064703. ⟨10.1063/1.5115148⟩

We present a coarse-grained model for using dissipative particle dynamics simulations to study the interaction between cis-1,4 polybutadiene polymer chains and a metal oxide (Cu2O) surface at the mesoscopic scale. We employ a bottom-up approach in or

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::07c53b061a4829eeb613131233e710b0
https://doi.org/10.1063/1.5115148

Zobrazit plný text záznamu

Synthesis and Evaluation of Side-Arm-Alkylated Phosphametallocene Phosphines

Autor: K. Michał Pietrusiewicz, Nicolas Seeboth, Duncan Carmichael, Louis Ricard, Jürgen Klankermayer, Sylwia Sowa, Eric Muller, Marek Stankevič

Publikováno v: Organometallics. 30:1804-1811

Syntheses permitting the introduction of one or two methyl substituents at the sp3-hybridized carbon atom in the backbone of enantiopure 2-phospharuthenocenemethyl phosphines are presented. Preliminary Rh-catalyzed hydrogenations of enamides suggest

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::77e0bd0c40fda0e1763bf25949498072
https://doi.org/10.1021/om100845p

Zobrazit plný text záznamu

Complexation of N-heterocyclic silylenes to Pd(0): formation of highly labile homoleptic complexes Pd[tBu)]4 and Pd[tBu)]3

Autor: Wolfgang A. Herrmann, Frank Bielert, Nicolas Seeboth, Peter Sirsch, Christian W. K. Gstöttmayr, Peter Härter

Publikováno v: Journal of Organometallic Chemistry. 649:141-146

The reaction of N -heterocyclic silylenes (NHS) 1 and 2 with Pd complexes, notably [( tert -butyl) 3 P] 2 Pd(0) and (COD)Pd(CH 3 ) 2 , is described. The formation of homoleptic NHS complexes Pd[ Si( t BuNCH 2 CH 2 N t Bu)] 4 and Pd[ Si( t BuNCHCHN t

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::95876678cc110b8c3e6dd71e10d56044
https://doi.org/10.1016/s0022-328x(02)01110-5

Zobrazit plný text záznamu

Double Friedel-Crafts acylation reactions on the same ring of a metallocene: synthesis of a 2,5-diacetylphospharuthenocene

Autor: Duncan Carmichael, Pascal Le Floch, Xavier F. Le Goff, Nicolas Seeboth, Olivier Piechaczyk

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany). 16(48)

The synthetic outcome of the Friedel-Crafts acylation of 1',2',3,3',4,4',5'-heptamethylphospharuthenocene reflects the nature of the acylating agent, with alkanoyl anhydride/trifluoromethanesulfonic acid (TfOH) reagents giving monosubstitution at the

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ebbda744e52b893b54229888f2c5456d
https://pubmed.ncbi.nlm.nih.gov/21125555

Zobrazit plný text záznamu

A comparison of phosphaferrocene and phospharuthenocene ligands in Rh+-catalysed enamide hydrogenation reactions: superior performance of the phospharuthenocene

Autor: Nicolas Seeboth, Louis Ricard, Duncan Carmichael, Marek Stankevič, Jürgen Klankermayer, Gabrielle Goldet

Publikováno v: Chemistry (Weinheim an der Bergstrasse, Germany). 13(19)

Enantiopure Cp*-substituted 3,4-dimethyl-5-phenylphosphametallocene-2-methanols (M=Fe, Ru) have been prepared from the corresponding 2-carboxy-(-)-menthylphospholide anion and elaborated into 2-CH(2)PPh(2) phosphametallocenes (13: M=Fe; 14: M=Ru) and

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::90197b33dbd9b7175d748716f82c9000
https://pubmed.ncbi.nlm.nih.gov/17407112

Zobrazit plný text záznamu

Synthesis of a cobalt-phospholyl half-sandwich complex and its transformation into a phosphacobaltocene

Autor: François Mathey, Yves Cabon, Kareen Forissier, Duncan Carmichael, Nicolas Seeboth, and Louis Ricard

Publikováno v: Organometallics
Organometallics, American Chemical Society, 2007, 26, pp.5468-5472

Low-temperature reaction of [Li(PC4H2t-Bu2)·2thf] (thf = tetrahydrofuran) (7) with [Co(acac)2] (Hacac = acetylacetone) gives the reactive half-sandwich complex [Co(η5-PC4H2t-Bu2)(acac)] (6). The crystal structure of 6 shows an unusual ene/2-phospha

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::34240529d1524e92c2c6ef5854232e0e
https://hal.archives-ouvertes.fr/hal-00168867

Zobrazit plný text záznamu

Planar-to-Axial Chirality Relay in Phospharuthenocenes. A Rotationally Hindered 2-(2'-Diphenylphosphinonaphth-1'-yl)phospharuthenocene

Autor: and Louis Ricard, Duncan Carmichael, Nicolas Seeboth

Publikováno v: Organometallics
Organometallics, American Chemical Society, 2007, 26 (12), pp.2964-2970. ⟨10.1021/om0610905⟩

International audience; Competing steric pressures within the coordination sphere of 2-(2'-X-naphth-1'-yl)-3,4-dimethyl-5-phenyl-5-phospholyl(pentamethylcyclopentadienyl)ruthenium(II) complexes (X = OMe (1), OH (3), OTf (4), PPh2(O) (5), PPh2 (6)) gi

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::f04c11db9e99bfc6d195a417c7b05104
https://hal.archives-ouvertes.fr/hal-00168590

Zobrazit plný text záznamu

Vyhledávací nástroje:

Upřesnit hledání