Discovery Projects - Grant ID: DP0208100

Funding Activity

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Funded Activity Summary

Experimental Charge Density Studies of Hydrogen Bonding. Hydrogen bonds, vital to all biological systems, exhibit extreme variation in chemical properties. Experimental analysis of hydrogen bonds, independent from previous theories and hypotheses, by using an expansion of current high resolution, ultra-low temperature X-ray crystallography is now possible. This allows experimental observation of electronic and electrostatic properties of previously unstudied hydrogen bonds, including weak hydrogen bonds and those involving metal atoms. Comparison of experimental observations with predictions from high-level theoretical calculations and finally incorporation of these parameters into a prototype force field for computational chemistry will allow better predictions to be made in a range of areas including medicinal and materials chemistry.

Funded Activity Details

Start Date: 01-07-2002

End Date: 30-06-2005

Funding Scheme: Discovery Projects

Funding Amount: $200,000.00

Funder: Australian Research Council