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Tue 12 May - Wed 13 May 2020
10:00 - 11:00

CANCELLED

Provided by: Department of Chemistry


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Chemistry: FS9 A Practical Introduction to Computational Organic Chemistry

Tue 12 May - Wed 13 May 2020
CANCELLED

Description

The combination of modern computing power and density functional theory (DFT) has made it possible to explore the mechanisms and catalytic cycles of complex organic and organometallic reactions. These lectures will provide a practical introduction to performing DFT calculations to elucidate reaction mechanisms. Other applications of DFT calculations will be discussed such as computing spectra and structure identification.

These lectures will be accompanied by a workshop that will show the user how to perform DFT calculations and how to use the data generated by these calculations to draw conclusions about reaction mechanisms. No prior computational experience is required.

Target audience
  • Chemistry postgraduates
  • Further details regarding eligibility criteria are available
Sessions

Number of sessions: 2

# Date Time Venue Trainer
1 Tue 12 May   10:00 - 11:00 10:00 - 11:00 Unilever Lecture Theatre Kristaps Ermanis
2 Wed 13 May   10:00 - 11:00 10:00 - 11:00 Unilever Lecture Theatre Kristaps Ermanis
Duration
  • Two sessions of one hour
Frequency
  • Yearly
Theme
Foundation Skills

Booking / availability