1. Comparative Theoretical Study on Homopolymerization of α-Olefins by Bis( cyclopentadienyl) Zirconocene and Hafnocene: Elemental Propagation and Termination Reactions between Monomers and Metals Organometallics, 2010, 29 (7), pp 1541–1550 DOI: 10.1021/om900843h http://pubs.acs.org/doi/pdf/10.1021/om900843h 2. Influence of the Ligand Structure of Hafnocene Polymerization Catalysts: A Theoretical Study on Ethene Insertion and Chain Propagation Organometallics, 2008, 27 (14), pp 3390–3398 DOI: 10.1021/om800050d http://pubs.acs.org/doi/pdf/10.1021/om800050d 3. Influence of the ligand structure of hafnocene polymerization catalysts: A theoretical study on chain termination reactions in ethene polymerization Journal of Organometallic Chemistry Volume 693, Issue 26, 15 December 2008, Pages 3915–3922 http://www.sciencedirect.com/science/article/pii/S0022328X08006 4. The influence of the ligand structure on activation of hafnocene polymerization catalysts: A theoretical study Journal of Organometallic Chemistry Volume 693, Issue 1, 1 January 2008, Pages 155–163 http://www.sciencedirect.com/science/article/pii/S0022328X07007 5. Effect of Metallocene Structures on their Performance in Ethene Polymerisation Macromolecular Chemistry and Physics Volume 208, Issue 8, pages 851–861, April 19, 2007 http://onlinelibrary.wiley.com/doi/10.1002/macp.200600595/pdf 有点多。先谢谢了!