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Profile
| Academic position | Full Professor |
|---|---|
| Research fields | Theoretical Chemistry: Electron Structure, Dynamics, Simulation,Mineralogy, Crystallography,Software Engineering and Programming Languages |
| Keywords | Intermolecular interactions, Density functional theory, Energy Partitioning method, Structural chemistry |
Current contact address
| Country | South Africa |
|---|---|
| City | Stellenbosch |
| Institution | Stellenbosch University |
| Institute | Department of Chemistry and Polymer Science |
Host during sponsorship
| Prof. Dr. Gernot Frenking | Fachbereich 15: Chemie, Philipps-Universität Marburg, Marburg |
|---|---|
| Prof. Dr. Tim Clark | Computer-Chemie-Centrum, Friedrich-Alexander-Universität Erlangen-Nürnberg, Erlangen |
| Start of initial sponsorship | 01/07/2002 |
Programme(s)
| 2001 | Humboldt Research Fellowship Programme |
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Publications (partial selection)
| 2017 | Catharine Esterhuysen, Andreas Heßelmann, Timothy Clark Trifluoromethyl: an amphiphilic noncovalent bonding partner. In: ChemPhysChem, 2017, 772-784 |
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| 2013 | Catharine Esterhuysen Gernot Frenking: Complexation behavior of two-coordinated carbon compounds containing fluorenyl ligands. In: Dalton Trans., 2013, 13349-13356 |
| 2011 | Catharine Esterhuysen; Gernot Frenking: Distinguishing Carbones from Allenes by Complexation to AuCl . In: CHEMISTRY-A EUROPEAN JOURNAL , 2011, 9944-9956 |
| 2005 | Attila Kovacs; Catharine Esterhuysen; Gernot Frenking: The Nature of the Chemical Bond Revisited: An Energy Partitioning Analysis of Nonpolar Bonds. In: Chemistry - A European Journal, 2005, 1813-1825 |
| 2004 | Catharine Esterhuysen; Gernot Frenking: The Nature of the Chemical Bond Revisited. An Energy Partitioning Analysis of Diatomic Molecules E2 (E = N - Bi, F - I), CO and BF. In: Theoretical Chemistry Accounts, 2004, 381-389 |
| 2003 | Catharine Esterhuysen; Gernot Frenking: Comparison of side-on and end-on coordination of E2 complexes of W(CO)5 (E = N, P, As, Sb, Bi, Si, Ge, Sn, Pb). In: Chemistry - a European Journal, 2003, 3518-3529 |