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Flinders Academic Commons >
Browsing by Subject 0307 Theoretical and Computational
Chemistry
Showing results 1 to 5 of 5
| Preview | Issue Date | Title | Author(s) | | 2005 | Investigation into the valence electronic
structure of norbornene using electron momentum spectroscopy, Green's function, and
density functional theories | Knippenberg, S; Nixon, Kate Louise; MacKenzie-Ross, Heather Lynn; Brunger, Michael James; Feng, Wang; Deleuze, M; Francois, J-P |
| 2005 | Ionization potentials of tantalum-carbide
clusters: an experimental and density functional theory study | Gascooke, Jason; Dryza, Viktoras; Addicoat, Matthew A.; Buntine, Mark A; Metha, Gregory Francis |
| 2006 | Molecular Modeling Approaches for the Prediction
of the Nonspecific Bindings of Drugs to Hepatic Microsomes | Sykes, Matthew James; Sorich, Michael J; Miners, John Oliver |
| 2006 | Structure of the Molecular Receptor
1,4,7,10-Tetrakis[(S)-2-hydroxy-2-phenylethyl]-1,4,7,10-tetraazacyclododecane: A
combined X-Ray Crystallographic and Theoretical Study Producing an Assessment of the
Crystal Packing Energy | Smith, Christopher Brooke; Buntine, Mark A; Lincoln, Stephen F; Taylor, Max Ronald; Wainwright, Kevin Peter |
| 2008 | Threshold Photoionization and Density Functional
Theory Studies of the Niobium Carbide Clusters Nb3Cn (n = 1-4) and Nb4Cn (n =
1-6) | Dryza, Viktoras; Gascooke, Jason; Addicoat, Matthew A.; Buntine, Mark A; Metha, Gregory Francis |
Showing results 1 to 5 of 5
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