Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Marc Souaille"'
The Persistent Radical Effect in Living Radical Polymerization – Borderline Cases and Side-Reactions
Autor:
Hanns Fischer, Marc Souaille
Publikováno v:
CHIMIA, Vol 55, Iss 3 (2001)
A theoretical analysis of the basic mechanism of living radical polymerization provides criteria for the rate constants required for optimized processes. It is extended to cover borderline cases and important side reactions as cross-disproportionatio
Externí odkaz:
https://doaj.org/article/8f5b9361ef964ac091c06744a01ad932
Publikováno v:
Journal of Polymer Science Part A: Polymer Chemistry. 40:3264-3283
Thermal reactions of the alkoxyamine diastereomers DEPN-R' [DEPN: N-(2-methylpropyl)-N-(1-diethylphosphophono-2,2-dimethyl-propyl)-aminoxyl; R': methoxy-carbonylethyl and phenylethyl] with (R,R) + (S,S) and (R,S) + (S,R) configurations have been inve
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cc52c2e1112b535f465f4b07704c674c
https://doi.org/10.1002/pola.10412
https://doi.org/10.1002/pola.10412
Autor:
Marc Souaille, Hanns Fischer
Publikováno v:
Macromolecules. 35:248-261
Three strategies to improve the performance of living and controlled polymerizations mediated by persistent radicals are analyzed kinetically to explore their advantages and limits. First, rate enhancements by an additional conventional initiation or
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::8d5bbe706b47a675386dcf9d57022a66
https://doi.org/10.1021/ma010880h
https://doi.org/10.1021/ma010880h
Autor:
Marc Souaille, Hanns Fischer
Publikováno v:
Macromolecules. 34:2830-2838
A kinetic analysis of living polymerizations controlled by persistent nitroxide radicals is extended to cover the formation of hydroxylamines and alkene macromonomers. This reaction can occur by ra...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6e77ed672a447eceee2334c48abcbbb9
https://doi.org/10.1021/ma001886u
https://doi.org/10.1021/ma001886u
Autor:
Marc Souaille, Benoît Roux
Publikováno v:
Computer Physics Communications. 135:40-57
The Weighted Histogram Analysis Method (WHAM) of Kumar et al. (J. Comput. Chem. 13 (1992) 1011), is used to combine free energy perturbations with umbrella sampling calculations. The formulation is general and allows optimal calculation of the free e
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a7b178de7cb49e8b13d4858928cdb373
https://doi.org/10.1016/s0010-4655(00)00215-0
https://doi.org/10.1016/s0010-4655(00)00215-0
Autor:
Hanns Fischer, Marc Souaille
Publikováno v:
Macromolecules. 33:7378-7394
A full kinetic analysis is presented for living polymerizations controlled by the reversible combination of growing propagating and persistent radicals. Analytical equations are derived for the concentrations of the radicals, the dormant and unreacti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e709a97a33649fb83468a4069287a568
https://doi.org/10.1021/ma000689s
https://doi.org/10.1021/ma000689s
Publikováno v:
The Journal of Physical Chemistry B. 101:6753-6757
Collective translational vibrations of n-nonadecane molecules incorporated within the channels of urea inclusion compounds are investigated at 180K by molecular dynamics simulation. Incoherent inel...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3c01941214895bcd54149c38854cbf4
https://doi.org/10.1021/jp9705885
https://doi.org/10.1021/jp9705885
Autor:
Massimo Marchi, Marc Souaille
Publikováno v:
Journal of the American Chemical Society. 119:3948-3958
This paper is concerned with issues related to the coupling between low-ffrequency nuclear modes and electronic emission in the bacterial reaction center of Rhodobacter sphaeroides. We have investigated the temporal evolution of the stimulated emissi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ef88e97c1dddb42af3e66f34231fdb6b
https://doi.org/10.1021/ja943841c
https://doi.org/10.1021/ja943841c
Publikováno v:
The Journal of Chemical Physics. 105:1529-1536
The rotational distribution of n‐nonadecane molecules around the channel axis in urea inclusion compound at 180 K is examined using molecular dynamics simulation and compared with data derived from incoherent neutron scattering experiment. The pote
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0809ec0a01c7465c1595c2b65e90f104
https://doi.org/10.1063/1.472013
https://doi.org/10.1063/1.472013
Publikováno v:
The Journal of Chemical Physics. 105:1516-1528
The diffusive dynamics of n‐nonadecane molecules in urea inclusion compound at 180 K are examined using molecular dynamics simulations. Incoherent quasielastic neutron scattering profiles are calculated from the simulation trajectories and compared
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ebc8c3e02901b836ebc817b1e01ecc02
https://doi.org/10.1063/1.472030
https://doi.org/10.1063/1.472030