Discovery Projects - Grant ID: DP0450669

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP0450669

Funding Status
Closed

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Funded Activity Summary

The energetics and dynamics of chemical reactions of polyatomic molecules involving multiple electronic states. This project will produce, from first principles, the first quantitatively accurate computer simulations of chemical reactions which involve several atoms and multiple electronic states. Many of the most important chemical reactions in the atmosphere (and elsewhere) involve changing both the shape of the molecules and their electronic structure. Many of these reactions are difficult to study in the laboratory, and consequently computer simulation is an essential component of the study of such reactions. U nderstanding how these reactions occur, and how fast they proceed, are important to our understanding of the dynamics of the atmosphere and other large scale reactors.

Funded Activity Details

Start Date: 01-01-2004

End Date: 31-12-2007

Funding Scheme: Discovery Projects

Funding Amount: $210,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Reaction Kinetics And Dynamics | Theoretical and Computational Chemistry

ANZSRC Socio-Economic Objective (SEO)

Atmospheric processes | Chemical sciences |

Other Keywords

Atmospheric processes | Chemical sciences | Reaction Kinetics And Dynamics | Theoretical and Computational Chemistry

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