Zobrazeno 1 - 10
of 42
pro vyhledávání: '"Tebikie Wondimagegn"'
Autor:
Tebikie Wondimagegn, Tom Ziegler
Publikováno v:
The Journal of Physical Chemistry C. 116:1027-1033
The influence of the structure of external alkoxysilane donors on stereoslectivity and molecular weight distributions in MgCl2-supported Ziegler–Natta catalysis has been examined. We shall demonstr...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::1dccc9ff144f5cbf9dc253c529ddc8ca
https://doi.org/10.1021/jp2097789
https://doi.org/10.1021/jp2097789
Autor:
Tebikie Wondimagegn, Arvi Rauk
Publikováno v:
The Journal of Physical Chemistry B. 115:569-579
Fe(III) porphine complexes and a limited number of Fe(II) porphine complexes were investigated at the 'MP2/LB'//B3LYP/SB level of theory, where SB and LB represent small and large basis sets, 6-31+G(d) and 6-311+G(2df,2p), respectively. Solvation eff
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8dbb203e476fa678c35b4dc43a781d34
https://doi.org/10.1021/jp1090747
https://doi.org/10.1021/jp1090747
Autor:
Tom Ziegler, Francoise Sauriol, Irja Elliott Donaghue, Angela M. Leung, Michael C. Baird, Tebikie Wondimagegn, Elizabeth Wong
Publikováno v:
Angewandte Chemie International Edition. 48:3342-3345
Caught in the act: An alkyl alkene Zr(IV) complex (see picture; Cp = C(5)H(5)) has been synthesized and characterized for the first time. The alkene bonding mode is highly asymmetric, and C2 is quite carbocationic. There is also evidence for rotation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bc235817eeabbb3790e5cefee56298f
https://doi.org/10.1002/anie.200900379
https://doi.org/10.1002/anie.200900379
Publikováno v:
Organometallics. 28:1383-1390
C1- and Cs-symmetric fluorenyl-based metallocenes have been used extensively as catalysts for the synthesis of high-molecular-weight polymers from ethylene and propylene homopolymerization. However, these same catalysts produce only low-molecular-wei
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3de933eb6c07b3358712b4aeb9f8c0cf
https://doi.org/10.1021/om801000v
https://doi.org/10.1021/om801000v
Publikováno v:
Organometallics. 27:6434-6439
Indenyl-based C2-symmetric metallocenes have been used extensively as catalysts for the synthesis of high molecular weight polymers from ethylene or propylene homopolymerization. However, the same ...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::bf00067e42ed279fcf510f02deafb9c4
https://doi.org/10.1021/om800731y
https://doi.org/10.1021/om800731y
Publikováno v:
The Journal of Physical Chemistry B. 112:1053-1056
Density functional theory (DFT) calculations, regardless of the exchange-correlation functional, have long failed to reproduce the observed dz21 ground state of the [NiIII(TtBuP)(CN)2]- anion (where TtBuP is the strongly ruffled tetra(tbutyl)porphyri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::62b6cc0aa8bd72e26e425a7d8e16e098
https://doi.org/10.1021/jp709980y
https://doi.org/10.1021/jp709980y
Autor:
Stuart MacGregor, Tebikie Wondimagegn
Publikováno v:
Organometallics. 26:1143-1149
Density functional calculations have been carried out to model various pathways for F/Ph exchange in [RhF(PPh3)3]. Calculations on the full experimental system showed this process to occur via a novel pathway involving initial attack of fluoride on p
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cd580c6cb3790f78ae13593458553761
https://doi.org/10.1021/om0610703
https://doi.org/10.1021/om0610703
Publikováno v:
Organometallics. 24:2076-2085
Combined quantum mechanical (QM) and molecular mechanical (MM) models (QM/MM) have been used to explore possible decomposition routes for ion pair systems used as catalysts in olefin polymerization...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::982563fcb8c75bf80c999c204d4f3c03
https://doi.org/10.1021/om049157g
https://doi.org/10.1021/om049157g
Publikováno v:
Organometallics. 23:5737-5743
Density functional theory has been used to investigate the various decomposition pathways involving the cationic catalyst systems L2TiMe+. The cationic catalyst systems include (NPR3)2TiMe+, (Cp)(N...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::15111490df3a34f5d70375e47a33cdac
https://doi.org/10.1021/om049478s
https://doi.org/10.1021/om049478s
Publikováno v:
Organometallics. 23:3847-3852
We have carried out a combined density functional theory and molecular mechanics study of aryl group transfer reactions from [MeB(C6F5)3]- to the metal center of L2MMe+ (M = Ti, Zr). This reaction,...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ebcd2cbf98ba786be8a6c682c5865b74
https://doi.org/10.1021/om0497792
https://doi.org/10.1021/om0497792