Discovery Projects - Grant ID: DP0450863

Funding Activity

Website
http://dataportal.arc.gov.au/NCGP/Web/Grant/Grant/DP0450863

Funding Status
Closed

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Funded Activity Summary

Inter- and Intra-molecular interactions probed by electron momentum spectroscopy. High-resolution electron momentum spectroscopy (EMS) will be used to study bonding (intra-molecular interactions) in complex oriented organic species. This will allow us, in conjunction with density functional theory calculations, to evaluate the basis sets and exchange-correlation (XC) functionals employed in those calculations, thereby potentially enabling quantum chemists to build more physically accurate XC-functionals and basis sets. As chemistry largely occurs in solution, the future will increasingly focus on solvated species. Consequently, we are also initiating an EMS study of the electronic wavefunctions of solvated species with our recently developed "clusters" EMS spectrometer. This will provide the first data on the electronic wavefunctions involved in inter-molecular interactions.

Funded Activity Details

Start Date: 01-01-2004

End Date: 31-12-2007

Funding Scheme: Discovery Projects

Funding Amount: $315,000.00

Funder: Australian Research Council

Research Topics

ANZSRC Field of Research (FoR)

Atomic, Molecular, Nuclear, Particle and Plasma Physics | Physical Chemistry Not Elsewhere Classified | Atomic And Molecular Physics

ANZSRC Socio-Economic Objective (SEO)

Chemical sciences | Physical sciences |

Other Keywords

Atomic And Molecular Physics | Atomic, Molecular, Nuclear, Particle and Plasma Physics | Chemical sciences | Physical Chemistry Not Elsewhere Classified | Physical sciences

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