% IMPORTANT: The following is UTF-8 encoded.  This means that in the presence
% of non-ASCII characters, it will not work with BibTeX 0.99 or older.
% Instead, you should use an up-to-date BibTeX implementation like “bibtex8” or
% “biber”.

@ARTICLE{Meier:32649,
      author       = {Meier, R. and Koglin, E.},
      title        = {{S}tructure and reactivity of aluminium amidinates in
                      olefin polymerization},
      journal      = {Computational materials science},
      volume       = {27},
      issn         = {0927-0256},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier Science},
      reportid     = {PreJuSER-32649},
      pages        = {133 - 137},
      year         = {2003},
      note         = {Record converted from VDB: 12.11.2012},
      abstract     = {Using density functional theory calculations we have
                      studied ethylene polymerisation activity of experimentally
                      studied aluminium amidinate homogeneous catalysts. We
                      confirm an earlier picture for the amidinates that finite
                      temperature effects need to be considered to rationalize
                      catalytic activity. Static calculations do not provide any
                      explanation for the experimentally observed activity. The
                      tendency to form dinuclear complexes of various kinds makes
                      this class of species rich in chemistry. The inadequacy of
                      quantum calculations to provide accurate barriers for
                      beta-hydrogen transfer for the real experimental systems,
                      however, renders these systems also as computationally
                      difficult and a challenge for future studies. (C) 2002
                      Elsevier Science B.V. All rights reserved.},
      keywords     = {J (WoSType)},
      cin          = {ICG-IV},
      ddc          = {530},
      cid          = {I:(DE-Juel1)VDB50},
      pnm          = {Chemie und Dynamik der Geo-Biosphäre},
      pid          = {G:(DE-Juel1)FUEK257},
      shelfmark    = {Materials Science, Multidisciplinary},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000181656700023},
      doi          = {10.1016/S0927-0256(02)00437-8},
      url          = {https://juser.fz-juelich.de/record/32649},
}