Discovery Projects - Grant ID: DP180103047

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP180103047

Funding Status
Active

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Funded Activity Summary

Computational tools for organic synthesis. This project aims to develop new computer modelling techniques with the ability to rapidly identify efficient synthetic routes to target molecules. The barrier heights, reaction energies, and product selectivities of the individual steps in a multi-step synthesis are key factors determining its overall efficiency, and are traditionally determined empirically. Innovative tools for predicting these properties through computer simulations are the expected outcomes of this project. These tools are anticipated to enable target molecules to be accessed more efficiently, with less expenditure of laboratory resources and a lower environmental impact, thereby contributing to an agile and sustainable chemical industry.

Funded Activity Details

Start Date: 01-04-2018

End Date: 31-12-2022

Funding Scheme: Discovery Projects

Funding Amount: $185,540.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Physical Organic Chemistry | Organic Chemistry | Theoretical and Computational Chemistry not elsewhere classified | Organic Chemical Synthesis

ANZSRC Socio-Economic Objective (SEO)

Expanding Knowledge in the Chemical Sciences | Environmentally Sustainable Manufacturing not elsewhere classified |

Other Keywords

Environmentally Sustainable Manufacturing not elsewhere classified | Expanding Knowledge in the Chemical Sciences | Organic Chemical Synthesis | Organic Chemistry | Physical Organic Chemistry | Theoretical and Computational Chemistry not elsewhere classified

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