Lynn Tai

1
Binding Energy and Mechanisms of Conjugated
Enediynes with a Ruthenium complex

• Lynn Tai
• Prime 2007
• Monash University- Melbourne, Australia
• July 1, 2008

2
Proposed Research

• Through the use of GAMESS and Kaplan I will
  research the binding energies between conjugated
  enediynes and ruthenium complexes to form
  aromatic rings. I will then change the binding
  sites as well as the number of binding sites to
  see which intermediate is most stable resulting
  in a projected mechanism.

3
Progress so Far

• Set up Notebooks for Wireless connection on
  Monash campus
• Set up account and verified certificate on
  East-Lin cluster in Monash for Nimrod
• Learnt about how Nimrod/O and Nimrod/E works as
  well as a brief intro in Kaplan
• Started running some tests on Nimrod/O as well as
  some test runs on GAMESS.
• Continued with online Computational Chemistry
  tutorial
• Learnt some UNIX commands
• Researched on Ruthenum-Mediated
  Cycloaromatization of Aceclic Enediynes and real
  life applications.
• Learnt how to do cryptic crosswords as well as
  gained useful general knowledge from newspaper
  quizzes!

4
Goals for Next Week

• Skype with Kim, Celine and Prof. OConnor to
  understand the best way to proceed with the
  project
• Run GAMESS scripts on list of molecules
• Research project and real life applications some
  more
• Learn more about how to use Nimrod as a well as
  Kaplan
• Learn more UNIX scripting
• Start writing GAMESS script for enediyene and
  ruthenium complex

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Prime 07- Melbourne!
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