Theoretical studies of the structure and function of MAO (methylaluminoxane)

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An experimental and theoretical investigation, Macromolecules, 31, 7149, 10.1021/ma980694k Fusco, 1998, Ethylene polymerization catalyzed by metallocene/methylaluminoxane systems: quantum-mechanical study on the role of olefin separated ion pairs (OSIP) in the polymerization mechanism, Macromol Rapid Commun, 19, 257, 10.1002/(SICI)1521-3927(19980501)19:5<257::AID-MARC257>3.0.CO;2-C Ferreira, 2002, A proposed mechanism for olefin polymerization, 2a EHMO and MM2 study, Macromol Theory Simul, 11, 267, 10.1002/1521-3919(20020301)11:3<267::AID-MATS267>3.0.CO;2-J Ferreira, 1997, A semi-empirical study on Ziegler–Natta catalyst: concerning the interaction EtInd2ZrCl2/MAO/SiO2, J Mol Catal A, 122, 51, 10.1016/S1381-1169(97)00016-2 Ferreira, 1999, MO studies of propylene adsorption on EtInd2ZrCH3+‖SiO2∗MAO−, J Mol Catal, A, 148, 127, 10.1016/S1381-1169(99)00028-X Ferreira, 2000, Theoretical and experimental study of the interaction of methylaluminoxane (MAO)-low temperature treated silica: role of trimethylaluminium (TMA), Macromol Chem Phys, 201, 1334, 10.1002/1521-3935(20000801)201:12<1334::AID-MACP1334>3.0.CO;2-# Juan, 2000, Study of zirconocene and MAO interaction with SiO2 surfaces, Appl Surf Sci, 161, 417, 10.1016/S0169-4332(00)00295-6 Juan, 2000, Zirconocene interaction with MAO on (111) and (100) silica surfaces, Macromol Theory Simul, 9, 381, 10.1002/1521-3919(20000801)9:7<381::AID-MATS381>3.0.CO;2-7 Juan, 2001, The electronic structure and bonding of MAO on the SiO2 (111) hydrated surface, Macromol Theory Simul, 10, 485, 10.1002/1521-3919(20010601)10:5<485::AID-MATS485>3.0.CO;2-4