Zirconocene β-Hydrogen Transfer with HOMO Isosurface
0:16
Added: 4 years ago
From: cnrowley
Views: 1,564
Sort by time | Sort by thread (beta)

Link to this comment:

Share to:

All Comments (3)

Sign In or Sign Up now to post a comment!

  • ok, i will read your paper... thanks, this kind of videos are always nice for the group meetings!!

    alchemist6868 2 years ago

  • which program did you use to generate the animation? and what kind of simulation for the trajectory of the MOs??

    alchemist6868 2 years ago

  • A gopenmol script was used to plot the structures and orbital isosurface from a turbomole calculation. See Rowley, C.N., Woo, T.K. Reaction Dynamics of β-Hydrogen Transfer in the Zirconocene Olefin Polymerization Catalyst: A DFT Path Sampling Study. Organometallics. 27(24), 6405-6407, 2008 for trajectory generation details.

    cnrowley 2 years ago

  • kewel

    ingolifs 3 years ago

Loading...
Alert icon
0 / 00Unsaved Playlist Return to active list
    1. Your queue is empty. Add videos to your queue using this button:
      or sign in to load a different list.
    Loading...Loading...Saving...
    • Clear all videos from this list
    • Learn more