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Department of Chemistry holds successful ATCS 2013
ATCS 2013

The Department of Chemistry held the 13th Atlantic Theoretical Chemistry Symposium (ATCS 2013) on August 3rd and 4th.  Featuring 43 participants, including 5 invited speakers and 25 oral presentations from graduate and undergraduate students from Atlantic Canadian Universities, the event was a success.

"We had a very strong organizing committee pulling together the sponsorships and getting invited speakers on board." said Dr. Peter Warburton.  "Because of that, we were able to see whats going on in theoretical and computational chemistry in North America, from California across to Newfoundland and Labrador."

"The sponsorship was a very important aspect of the symposium.  Because of the generosity of organizations such as ACEnet, Memorial University, the local section and Physical Theoretical and Computational Chemistry division of the Chemical Institute of Canada, we were able to hold the symposium without a registration fee for attendees, and will be able to offer travel support for the students from the rest of the Atlantic Region," he added.

"As well, prizes were provided by Wolfram Alpha and Pearson Canada.  It's certainly a great thing when corporations provide awards for very promising student researchers.  It provides valuable feedback to them about the strength of the research and communication skills they've brought to the symposium."

More information about the ATCS, including a program, can be found on the symposium webpage http://www.mun.ca/compchem/atcs/

ATCS 2013 Award Winners

 

Best Oral Presentation ($250 - Sponsored by the Physical, Theoretical and Computational Chemistry Division of the CIC)

 Jessica Besaw (Memorial University)

The Theory of Atoms and Bonds in Molecules Based on the Topology of Molecular Radial Density

Second Best Oral Presentation ($150 - Sponsored by the NL Local Section of the CIC)

 Jean Gillis (Dalhousie)

An Investigation of Guanine Quartets and Quadruplexes at the Atomic Level

Third Best Oral Presentation ($100 - Sponsored by Memorial University)

 Adam Proud (University of Price Edward Island)

Simulating the Unraveling of Lasso Peptides

Best Oral (Theory) Presentations (Copy of Mathematica - Sponsored by Wolfram Alpha)

 Best Oral (Theory) Presentation: Csongor Matyas (Memorial University)

Knotty Chemistry

 Second Best Oral (Theory) : Brendan J.H. Sheppard (University of Price Edward Island)

Correlation Effects on the Topology of Electron-Electron Interactions Using the Localized Pair Model

Honourable Mention Book Prizes (Sponsored by Pearson Canada)

 Jennifer Smith (Memorial University)

The Need for Range Separated Functionals for Modeling Michael Additions of Thiols

 Andrew Hogan (Memorial University)

Structures and Gaseous Dissociation Pathways of Dication-Threose Complexes

 Simiao Lu (Dalhousie)

Computational Models of Organotin-Mediated Alkylation of Diols

 Mohammad Azargun (Memorial University)

Study of G-tetramers by Mass Spectrometry and Computational Chemistry

 Laura Albretch (Dalhousie)

An Atomic Perspective of Hydrogen Bond Interactions in Water Clusters

 Cory MacDonald (Dalhousie)

Enzymatic Mechanism of Leukotriene C4 Synthesis

 Shamus Blair (Uiversity of New Brunswick)

How Often Are the Minimum Polarizability and Maximum Hardness Principles Violated?

 

 

Aug 6th, 2013

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