Zobrazeno 1 - 8
of 8
pro vyhledávání: '"Anniina Laine"'
Autor:
Nic Friederichs, Betty Coussens, John Severn, Alexandra Berthoud, Mikko Linnolahti, Anniina Laine, Janne T. Hirvi
Publikováno v:
Organometallics. 34:2415-2421
We have carried out a systematic computational study on olefin polymerization by metallocene/borate catalysts, using three metallocenes: Cp2ZrMe2 (Cp), rac-SiMe2-bis(1-(2-Me-(4-PhInd))ZrMe2 (4-PhInd), and rac-SiMe2-bis(1-(2-Me-(4,5-BenzInd))ZrMe2 (4,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2327e63130b7f949946089b5aaf90b1c
https://doi.org/10.1021/om501185x
https://doi.org/10.1021/om501185x
Publikováno v:
Chemistry-A European Journal
Herein, we introduce an approach for the computational screening of stoichiometric reactions between trimethylaluminum (TMA) and water. The thermodynamic products of these reactions are methylaluminoxanes (MAOs) with different compositions, which hav
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::c806fa7b5cb921603e0a549a26fc1fc7
Publikováno v:
Journal of Organometallic Chemistry
Reactions between trimethylaluminum and selected zirconocene and hafnocene polymerization catalysts have been computationally studied at the MP2/TZVP level of theory. Dichloride precatalyst alkylation and the subsequent activation by ligand abstracti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::43451d321d63e6c1da66dce4804e2c9a
Publikováno v:
Organometallics. 30:1350-1358
The effect of the metal on elementary chain propagation and termination reactions in hafnocene- and zirconocene-catalyzed olefin copolymerization processes has been systematically studied by quantum chemical methods. Two consecutive monomer insertion
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9cfca9323a2379dcd455d946255aacf6
https://doi.org/10.1021/om100761p
https://doi.org/10.1021/om100761p
Publikováno v:
Organometallics. 29:1541-1550
A comparative quantum chemical study has been performed to shed light on the fundamental differences between hafnocenes and zirconocenes concerning reactions between the metals and α-olefin monomers, namely, ethene, propene, 1-butene, and 1-hexene.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d7c8d416cd0454710d87c89bf11b082d
https://doi.org/10.1021/om900843h
https://doi.org/10.1021/om900843h
Publikováno v:
The Journal of Physical Chemistry B. 108:3989-3995
The structures of small magnesium dichloride clusters were studied by ab initio quantum chemical methods. A technique was developed to take all conceivable structural isomers systematically into account. Altogether 168 isomers of (MgCl 2 ) n , where
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5933997c521d434f408f28af044d65dd
https://doi.org/10.1021/jp030464u
https://doi.org/10.1021/jp030464u
Autor:
Anniina Laine, Betty B. Coussens, JanneT. Hirvi, Alexandra Berthoud, Nic Friederichs, John R. Severn, Mikko Linnolahti
Publikováno v:
Organometallics; Jun2015, Vol. 34 Issue 11, p2415-2421, 7p
Autor:
Anniina Laine, Mikko Linnolahti, Tapani A. Pakkanen, John R. Severn, Esa Kokko, Anneli Pakkanen
Publikováno v:
Organometallics; Mar2011, Vol. 30 Issue 6, p1350-1358, 9p